N-cyclopropyl-3-{1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl}propanamide

• ChemBase ID: 478291
• Molecular Formular: C25H30N2O2
• Molecular Mass: 390.5179
• Monoisotopic Mass: 390.23072821
• SMILES: N1(C(=O)Cc2ccc(c3ccccc3)cc2)CC(CCC(=O)NC2CC2)CCC1
• Canonical SMILES: O=C(NC1CC1)CCC1CCCN(C1)C(=O)Cc1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C25H30N2O2/c28-24(26-23-13-14-23)15-10-20-5-4-16-27(18-20)25(29)17-19-8-11-22(12-9-19)21-6-2-1-3-7-21/h1-3,6-9,11-12,20,23H,4-5,10,13-18H2,(H,26,28)
• InChIKey: IVZSXOJTITUKLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-{1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl}propanamide
• IUPAC Traditional name: N-cyclopropyl-3-{1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl}propanamide
• Synonyms: 3-[1-(4-biphenylylacetyl)-3-piperidinyl]-N-cyclopropylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.666382
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.5651612
• LogD (pH = 7.4): 3.5651615
• Log P: 3.5651615
• Molar Refractivity: 115.5285 cm^3
• Polarizability: 46.209053 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.71
• LOG S: -5.75
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 7