N-cyclopropyl-3-{1-[3-(4-fluorophenyl)benzoyl]piperidin-3-yl}propanamide

• ChemBase ID: 477289
• Molecular Formular: C24H27FN2O2
• Molecular Mass: 394.4817832
• Monoisotopic Mass: 394.20565633
• SMILES: N1(C(=O)c2cc(c3ccc(cc3)F)ccc2)CC(CCC(=O)NC2CC2)CCC1
• Canonical SMILES: O=C(NC1CC1)CCC1CCCN(C1)C(=O)c1cccc(c1)c1ccc(cc1)F
• InChI: InChI=1S/C24H27FN2O2/c25-21-9-7-18(8-10-21)19-4-1-5-20(15-19)24(29)27-14-2-3-17(16-27)6-13-23(28)26-22-11-12-22/h1,4-5,7-10,15,17,22H,2-3,6,11-14,16H2,(H,26,28)
• InChIKey: FIAJHOWTIOEIMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-{1-[3-(4-fluorophenyl)benzoyl]piperidin-3-yl}propanamide
• IUPAC Traditional name: N-cyclopropyl-3-{1-[3-(4-fluorophenyl)benzoyl]piperidin-3-yl}propanamide
• Synonyms: N-cyclopropyl-3-{1-[(4'-fluoro-3-biphenylyl)carbonyl]-3-piperidinyl}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.61664
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.7276976
• LogD (pH = 7.4): 3.727698
• Log P: 3.727698
• Molar Refractivity: 111.6935 cm^3
• Polarizability: 43.757996 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: 2.95
• LOG S: -6.15
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 6