1-methylpiperidine-4-carboxamide

• ChemBase ID: 59208
• Molecular Formular: C7H14N2O
• Molecular Mass: 142.19886
• Monoisotopic Mass: 142.11061308
• SMILES: C1CN(CCC1C(=O)N)C
• Canonical SMILES: CN1CCC(CC1)C(=O)N
• InChI: InChI=1S/C7H14N2O/c1-9-4-2-6(3-5-9)7(8)10/h6H,2-5H2,1H3,(H2,8,10)
• InChIKey: BTVJTKWOCSGJDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methylpiperidine-4-carboxamide
• IUPAC Traditional name: 1-methylpiperidine-4-carboxamide
• Synonyms: 1-Methylpiperidine-4-carboxamide

Database IDs

• CAS Number: 62718-28-9
• MDL Number: MFCD06658488
• PubChem SID: 162063971
• PubChem CID: 339011

CALCULATED PROPERTIES

• Acid pKa: 16.732683
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.7748976
• LogD (pH = 7.4): -2.2119071
• Log P: -0.5436625
• Molar Refractivity: 40.1922 cm^3
• Polarizability: 15.631624 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%