1-cyclohexyl-N-(1H-imidazol-2-ylmethyl)-N-methylpiperidine-4-carboxamide

• ChemBase ID: 828313
• Molecular Formular: C17H28N4O
• Molecular Mass: 304.43042
• Monoisotopic Mass: 304.22631154
• SMILES: C(=O)(N(Cc1ncc[nH]1)C)C1CCN(CC1)C1CCCCC1
• Canonical SMILES: O=C(N(Cc1ncc[nH]1)C)C1CCN(CC1)C1CCCCC1
• InChI: InChI=1S/C17H28N4O/c1-20(13-16-18-9-10-19-16)17(22)14-7-11-21(12-8-14)15-5-3-2-4-6-15/h9-10,14-15H,2-8,11-13H2,1H3,(H,18,19)
• InChIKey: VHSRMRKLEIOLTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexyl-N-(1H-imidazol-2-ylmethyl)-N-methylpiperidine-4-carboxamide
• IUPAC Traditional name: 1-cyclohexyl-N-(1H-imidazol-2-ylmethyl)-N-methylpiperidine-4-carboxamide
• Synonyms: 1-cyclohexyl-N-(1H-imidazol-2-ylmethyl)-N-methyl-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Log P: 1.3821297
• Molar Refractivity: 87.8942 cm^3
• Polarizability: 34.198975 Å^3
• Polar Surface Area: 52.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 12.608424
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.707442
• LogD (pH = 7.4): -1.1855556

供应商提供(Chembridge)

• Log P: 1.46
• LOG S: -2.67
• Polar Surface Area: 52.23 Å^2
• Rotatable Bonds: 4
• H Acceptors: 3
• H Donor: 1