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

• ChemBase ID: 355176
• Molecular Formular: C24H28N2O2
• Molecular Mass: 376.49132
• Monoisotopic Mass: 376.21507815
• SMILES: C(=O)(N1CCC(CC1)CCC(=O)NC1CC1)c1ccc(cc1)c1ccccc1
• Canonical SMILES: O=C(c1ccc(cc1)c1ccccc1)N1CCC(CC1)CCC(=O)NC1CC1
• InChI: InChI=1S/C24H28N2O2/c27-23(25-22-11-12-22)13-6-18-14-16-26(17-15-18)24(28)21-9-7-20(8-10-21)19-4-2-1-3-5-19/h1-5,7-10,18,22H,6,11-17H2,(H,25,27)
• InChIKey: MLEYEHDHWQTXBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-[1-(4-phenylbenzoyl)piperidin-4-yl]propanamide
• IUPAC Traditional name: N-cyclopropyl-3-[1-(4-phenylbenzoyl)piperidin-4-yl]propanamide
• Synonyms: 3-[1-(4-biphenylylcarbonyl)-4-piperidinyl]-N-cyclopropylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.463934
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.5070422
• LogD (pH = 7.4): 3.5070424
• Log P: 3.5070424
• Molar Refractivity: 111.5541 cm^3
• Polarizability: 44.142097 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: 2.79
• LOG S: -5.94
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 6