N-cyclopropyl-3-[1-(1-phenylcyclohexanecarbonyl)piperidin-4-yl]propanamide

• ChemBase ID: 367410
• Molecular Formular: C24H34N2O2
• Molecular Mass: 382.53896
• Monoisotopic Mass: 382.26202834
• SMILES: C(=O)(C1(c2ccccc2)CCCCC1)N1CCC(CC1)CCC(=O)NC1CC1
• Canonical SMILES: O=C(NC1CC1)CCC1CCN(CC1)C(=O)C1(CCCCC1)c1ccccc1
• InChI: InChI=1S/C24H34N2O2/c27-22(25-21-10-11-21)12-9-19-13-17-26(18-14-19)23(28)24(15-5-2-6-16-24)20-7-3-1-4-8-20/h1,3-4,7-8,19,21H,2,5-6,9-18H2,(H,25,27)
• InChIKey: NCTNAZOIJONVKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-[1-(1-phenylcyclohexanecarbonyl)piperidin-4-yl]propanamide
• IUPAC Traditional name: N-cyclopropyl-3-[1-(1-phenylcyclohexanecarbonyl)piperidin-4-yl]propanamide
• Synonyms: N-cyclopropyl-3-{1-[(1-phenylcyclohexyl)carbonyl]-4-piperidinyl}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.499967
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.808962
• LogD (pH = 7.4): 3.808963
• Log P: 3.808963
• Molar Refractivity: 111.5456 cm^3
• Polarizability: 43.70653 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.84
• LOG S: -5.03
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 6