6-methylpiperidine-3-carboxamide

• ChemBase ID: 259557
• Molecular Formular: C7H14N2O
• Molecular Mass: 142.19886
• Monoisotopic Mass: 142.11061308
• SMILES: C1(C(=O)N)CNC(CC1)C
• Canonical SMILES: CC1CCC(CN1)C(=O)N
• InChI: InChI=1S/C7H14N2O/c1-5-2-3-6(4-9-5)7(8)10/h5-6,9H,2-4H2,1H3,(H2,8,10)
• InChIKey: WGGFJKKCAFNBGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methylpiperidine-3-carboxamide
• IUPAC Traditional name: 6-methylpiperidine-3-carboxamide
• Synonyms: 6-methylpiperidine-3-carboxamide

Database IDs

• MDL Number: MFCD09927703
• PubChem SID: 164315467
• PubChem CID: 24689592

CALCULATED PROPERTIES

• Acid pKa: 16.713808
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.549906
• LogD (pH = 7.4): -2.6006153
• Log P: -0.35422796
• Molar Refractivity: 39.1623 cm^3
• Polarizability: 15.631624 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.118

Product Information

• Purity: 95%