N-{4-[4-(benzylamino)piperidin-1-yl]phenyl}cyclopentanecarboxamide

• ChemBase ID: 327858
• Molecular Formular: C24H31N3O
• Molecular Mass: 377.52244
• Monoisotopic Mass: 377.24671263
• SMILES: C(=O)(Nc1ccc(N2CCC(NCc3ccccc3)CC2)cc1)C1CCCC1
• Canonical SMILES: O=C(C1CCCC1)Nc1ccc(cc1)N1CCC(CC1)NCc1ccccc1
• InChI: InChI=1S/C24H31N3O/c28-24(20-8-4-5-9-20)26-22-10-12-23(13-11-22)27-16-14-21(15-17-27)25-18-19-6-2-1-3-7-19/h1-3,6-7,10-13,20-21,25H,4-5,8-9,14-18H2,(H,26,28)
• InChIKey: UHZMFKJVFQAUMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{4-[4-(benzylamino)piperidin-1-yl]phenyl}cyclopentanecarboxamide
• IUPAC Traditional name: N-{4-[4-(benzylamino)piperidin-1-yl]phenyl}cyclopentanecarboxamide
• Synonyms: N-{4-[4-(benzylamino)-1-piperidinyl]phenyl}cyclopentanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.575063
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.1488011
• LogD (pH = 7.4): 2.0542412
• Log P: 4.356165
• Molar Refractivity: 116.7198 cm^3
• Polarizability: 44.452297 Å^3
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 4.18
• LOG S: -5.63
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 6