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Basic Description
| Synonyms | 3-Methylpiperidin-2-one | 3768-43-2 | 2-Methyl-5-pentanelactam | 2-Piperidinone, 3-methyl- | 3-methyl-2-piperidone | MFCD00177941 | 3-methyl-2-piperidinone | methylvalerolactim | 3-methylpiperidone | EINECS 223-196-1 | 3-Methyl-2-oxopiperidine | CHEMBL342795 | SCHEMBL1115487 | DTX |
|---|---|
| Specifications & Purity | ≥97% |
| Storage Temp | Room temperature |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Piperidines
- Subclass Piperidinones
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Class
Piperidines
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Superclass
Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Piperidines |
| Subclass | Piperidinones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Piperidinones |
| Alternative Parents | Delta lactams Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Delta-lactam - Piperidinone - Secondary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as piperidinones. These are compounds containing a piperidine ring which bears a ketone. |
| External Descriptors | Not available |
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Associated Targets(non-human)
Mus musculus (284745 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| IUPAC Name | 3-methylpiperidin-2-one |
|---|---|
| INCHI | InChI=1S/C6H11NO/c1-5-3-2-4-7-6(5)8/h5H,2-4H2,1H3,(H,7,8) |
| InChIKey | PHGAOXNFCZKFTR-UHFFFAOYSA-N |
| Smiles | CC1CCCNC1=O |
| Isomeric SMILES | CC1CCCNC1=O |
| PubChem CID | 107169 |
| Molecular Weight | 113.1576 |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 113.160 g/mol |
|---|---|
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 113.084 Da |
| Monoisotopic Mass | 113.084 Da |
| Topological Polar Surface Area | 29.100 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 101.000 |
| 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 |
Solution Calculators
Reviews
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