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tert-butyl 5-ethyl-2,4-dioxopiperidine-1-carboxylate - 97%, high purity
Basic Description
Synonyms
845267-80-3 | 1-Boc-5-Ethyl-2,4-dioxopiperidine | TERT-BUTYL 5-ETHYL-2,4-DIOXOPIPERIDINE-1-CARBOXYLATE | 1-BOC-5-ETHYL-2, 4-PIPERIDINEDIONE | SCHEMBL4769216 | DTXSID20739966 | KNXSCLVWCAEWDH-UHFFFAOYSA-N | 5-ethyl-2,4-dioxo-piperidine-1-carboxylic acid tert-butyl ester
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Piperidines
Subclass
Piperidinecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Piperidinecarboxylic acids
Alternative Parents
Piperidinediones Delta lactams 1,3-dicarbonyl compounds Dicarboximides Carbamate esters Organic carbonic acids and derivatives Cyclic ketones Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Piperidinecarboxylic acid - Piperidinedione - Delta-lactam - Piperidinone - 1,3-dicarbonyl compound - Dicarboximide - Carbamic acid ester - Ketone - Lactam - Carbonic acid derivative - Cyclic ketone - Carboxylic acid derivative - Azacycle - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid group.
External Descriptors
Not available
Data sources
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.
Names and Identifiers
IUPAC Name
tert-butyl 5-ethyl-2,4-dioxopiperidine-1-carboxylate
INCHI
InChI=1S/C12H19NO4/c1-5-8-7-13(10(15)6-9(8)14)11(16)17-12(2,3)4/h8H,5-7H2,1-4H3
InChIKey
KNXSCLVWCAEWDH-UHFFFAOYSA-N
Smiles
CCC1CN(C(=O)CC1=O)C(=O)OC(C)(C)C
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
241.280 g/mol
XLogP3
1.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
241.131 Da
Monoisotopic Mass
241.131 Da
Topological Polar Surface Area
63.700 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
343.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
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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