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1-(4-Methoxybenzoyl)-4-piperidinecarboxylic acid , CAS No.510739-83-0

COA

Cas Number: 510739-83-0
Molecular Weight: 263.29
PubChem CID: 738124

In stock

Item Number

M170685

Grouped product items
SKU	Size	Availability	Price	Qty
M170685-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$715.90

Basic Description

Synonyms	510739-83-0 \| 1-(4-methoxybenzoyl)piperidine-4-carboxylic acid \| 1-(4-methoxybenzoyl)-4-piperidinecarboxylic acid \| 1-(4-Methoxy-benzoyl)-piperidine-4-carboxylic acid \| MFCD01875804 \| MLS000123074 \| Cambridge id 7360927 \| CHEMBL1478790 \| 1-[(4-methoxyphenyl)carbonyl]pipe
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoyl derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoyl derivatives
Intermediate Tree Nodes	Not available
Direct Parent	1-benzoylpiperidines
Alternative Parents	N-benzoylpiperidines Piperidinecarboxylic acids Benzamides Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Tertiary carboxylic acid amides Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	1-benzoylpiperidine - N-benzoylpiperidine - Benzamide - Benzoic acid or derivatives - N-acyl-piperidine - Piperidinecarboxylic acid - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Piperidine - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 1-benzoylpiperidines. These are compounds containing a piperidine ring substituted at the 1-position with a benzoyl group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	1-(4-methoxybenzoyl)piperidine-4-carboxylic acid
INCHI	InChI=1S/C14H17NO4/c1-19-12-4-2-10(3-5-12)13(16)15-8-6-11(7-9-15)14(17)18/h2-5,11H,6-9H2,1H3,(H,17,18)
InChIKey	ZMEVUKYYWCUUJF-UHFFFAOYSA-N
Smiles	COC1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)O
Isomeric SMILES	COC1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)O
Molecular Weight	263.29
Reaxy-Rn	62886851
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=62886851&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	263.290 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	263.116 Da
Monoisotopic Mass	263.116 Da
Topological Polar Surface Area	66.800 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	328.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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