N,N-dimethylpiperidine-3-carboxamide

• ChemBase ID: 116053
• Molecular Formular: C8H16N2O
• Molecular Mass: 156.22544
• Monoisotopic Mass: 156.12626314
• SMILES: C(=O)(C1CNCCC1)N(C)C
• Canonical SMILES: O=C(C1CCCNC1)N(C)C
• InChI: InChI=1S/C8H16N2O/c1-10(2)8(11)7-4-3-5-9-6-7/h7,9H,3-6H2,1-2H3
• InChIKey: KLSDFCJMDZZDKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethylpiperidine-3-carboxamide
• IUPAC Traditional name: N,N-dimethylpiperidine-3-carboxamide
• Synonyms: N,N-dimethylpiperidine-3-carboxamide hydrochloride

Database IDs

• MDL Number: MFCD07781029
• PubChem SID: 162101158
• PubChem CID: 18760276

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.5094488
• LogD (pH = 7.4): -2.4910288
• Log P: -0.32345086
• Molar Refractivity: 44.5369 cm^3
• Polarizability: 17.470844 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -0.3

Product Information

• Purity: 95+%
• Salt Data: HCl