1-(cyclohexylmethyl)-N-methyl-6-oxo-N-{[4-(1H-pyrazol-1-yl)phenyl]methyl}piperidine-3-carboxamide

• ChemBase ID: 437287
• Molecular Formular: C24H32N4O2
• Molecular Mass: 408.53648
• Monoisotopic Mass: 408.25252628
• SMILES: N1(C(=O)CCC(C(=O)N(Cc2ccc(n3nccc3)cc2)C)C1)CC1CCCCC1
• Canonical SMILES: O=C(N(Cc1ccc(cc1)n1cccn1)C)C1CCC(=O)N(C1)CC1CCCCC1
• InChI: InChI=1S/C24H32N4O2/c1-26(16-20-8-11-22(12-9-20)28-15-5-14-25-28)24(30)21-10-13-23(29)27(18-21)17-19-6-3-2-4-7-19/h5,8-9,11-12,14-15,19,21H,2-4,6-7,10,13,16-18H2,1H3
• InChIKey: IZXOKMKLDIEQGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclohexylmethyl)-N-methyl-6-oxo-N-{[4-(1H-pyrazol-1-yl)phenyl]methyl}piperidine-3-carboxamide
• IUPAC Traditional name: 1-(cyclohexylmethyl)-N-methyl-6-oxo-N-{[4-(pyrazol-1-yl)phenyl]methyl}piperidine-3-carboxamide
• Synonyms: 1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[4-(1H-pyrazol-1-yl)benzyl]-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0322144
• LogD (pH = 7.4): 3.0322711
• Log P: 3.0322719
• Molar Refractivity: 118.1764 cm^3
• Polarizability: 45.984325 Å^3
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.6
• LOG S: -4.38
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 6