4-methylpiperidine-4-carboxamide

• ChemBase ID: 309764
• Molecular Formular: C7H14N2O
• Molecular Mass: 142.19886
• Monoisotopic Mass: 142.11061308
• SMILES: C(=O)(C1(CCNCC1)C)N
• Canonical SMILES: NC(=O)C1(C)CCNCC1
• InChI: InChI=1S/C7H14N2O/c1-7(6(8)10)2-4-9-5-3-7/h9H,2-5H2,1H3,(H2,8,10)
• InChIKey: WMXCNYRFESQHJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methylpiperidine-4-carboxamide
• IUPAC Traditional name: 4-methylpiperidine-4-carboxamide
• Synonyms: 4-methyl-4-piperidinecarboxamide

Database IDs

• CAS Number: 1003021-83-7
• MDL Number: MFCD13178874

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.5956142
• LogD (pH = 7.4): -2.9910302
• Log P: -0.37069613
• Molar Refractivity: 39.3985 cm^3
• Polarizability: 15.631624 Å^3
• Polar Surface Area: 55.12 Å^2