3-methylpiperidine-1-carboxamide

• ChemBase ID: 267189
• Molecular Formular: C7H14N2O
• Molecular Mass: 142.19886
• Monoisotopic Mass: 142.11061308
• SMILES: N1(C(=O)N)CC(CCC1)C
• Canonical SMILES: CC1CCCN(C1)C(=O)N
• InChI: InChI=1S/C7H14N2O/c1-6-3-2-4-9(5-6)7(8)10/h6H,2-5H2,1H3,(H2,8,10)
• InChIKey: AHTHIOQYBHDSLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methylpiperidine-1-carboxamide
• IUPAC Traditional name: 3-methylpiperidine-1-carboxamide
• Synonyms: 3-methylpiperidine-1-carboxamide

Database IDs

• MDL Number: MFCD09732885
• PubChem SID: 164323099
• PubChem CID: 16786142

CALCULATED PROPERTIES

• Acid pKa: 16.303947
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.29885712
• LogD (pH = 7.4): 0.2988572
• Log P: 0.29885724
• Molar Refractivity: 39.5496 cm^3
• Polarizability: 15.2490015 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.276

Product Information

• Purity: 95%