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

• ChemBase ID: 581853
• Molecular Formular: C24H32N4O2
• Molecular Mass: 408.53648
• Monoisotopic Mass: 408.25252628
• SMILES: N1(C(=O)CCC(C(=O)N(Cc2cn(nc2)c2ccccc2)C)C1)CC1CCCCC1
• Canonical SMILES: O=C(N(Cc1cnn(c1)c1ccccc1)C)C1CCC(=O)N(C1)CC1CCCCC1
• InChI: InChI=1S/C24H32N4O2/c1-26(15-20-14-25-28(17-20)22-10-6-3-7-11-22)24(30)21-12-13-23(29)27(18-21)16-19-8-4-2-5-9-19/h3,6-7,10-11,14,17,19,21H,2,4-5,8-9,12-13,15-16,18H2,1H3
• InChIKey: NZPNUYBCZNIJNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0322402
• LogD (pH = 7.4): 3.0322714
• Log P: 3.0322719
• Molar Refractivity: 118.1764 cm^3
• Polarizability: 45.984886 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: -4.46
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 6