N,3-dimethylpiperidine-3-carboxamide

• ChemBase ID: 309879
• Molecular Formular: C8H16N2O
• Molecular Mass: 156.22544
• Monoisotopic Mass: 156.12626314
• SMILES: C1(C(=O)NC)(CNCCC1)C
• Canonical SMILES: CNC(=O)C1(C)CCCNC1
• InChI: InChI=1S/C8H16N2O/c1-8(7(11)9-2)4-3-5-10-6-8/h10H,3-6H2,1-2H3,(H,9,11)
• InChIKey: QLWFXVDKQVJTGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1316225-57-6
• MDL Number: MFCD18272620

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.193243
• LogD (pH = 7.4): -2.2981923
• Log P: 0.008887387
• Molar Refractivity: 44.1412 cm^3
• Polarizability: 17.470844 Å^3
• Polar Surface Area: 41.13 Å^2