N-methylpiperidine-2-carboxamide

• ChemBase ID: 256262
• Molecular Formular: C7H14N2O
• Molecular Mass: 142.19886
• Monoisotopic Mass: 142.11061308
• SMILES: C(=O)(C1NCCCC1)NC
• Canonical SMILES: CNC(=O)C1CCCCN1
• InChI: InChI=1S/C7H14N2O/c1-8-7(10)6-4-2-3-5-9-6/h6,9H,2-5H2,1H3,(H,8,10)
• InChIKey: OHSDIYRKGMNZBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methylpiperidine-2-carboxamide
• IUPAC Traditional name: N-methylpiperidine-2-carboxamide
• Synonyms: N-methyl-2-piperidinecarboxamide; N-methylpiperidine-2-carboxamide

Database IDs

• CAS Number: 53941-92-7
• MDL Number: MFCD09811289
• PubChem SID: 164312172
• PubChem CID: 9989361

CALCULATED PROPERTIES

• Acid pKa: 16.036234
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.239105
• LogD (pH = 7.4): -1.7192941
• Log P: -0.23583929
• Molar Refractivity: 39.3842 cm^3
• Polarizability: 15.631624 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.032

Product Information

• Purity: 95%