4-[4-(cyclopentylamino)piperidin-1-yl]-N-(1-phenylethyl)benzamide

• ChemBase ID: 850445
• Molecular Formular: C25H33N3O
• Molecular Mass: 391.54902
• Monoisotopic Mass: 391.26236269
• SMILES: C(=O)(NC(c1ccccc1)C)c1ccc(N2CCC(NC3CCCC3)CC2)cc1
• Canonical SMILES: CC(c1ccccc1)NC(=O)c1ccc(cc1)N1CCC(CC1)NC1CCCC1
• InChI: InChI=1S/C25H33N3O/c1-19(20-7-3-2-4-8-20)26-25(29)21-11-13-24(14-12-21)28-17-15-23(16-18-28)27-22-9-5-6-10-22/h2-4,7-8,11-14,19,22-23,27H,5-6,9-10,15-18H2,1H3,(H,26,29)
• InChIKey: ILGMHZKMTYXSRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(cyclopentylamino)piperidin-1-yl]-N-(1-phenylethyl)benzamide
• IUPAC Traditional name: 4-[4-(cyclopentylamino)piperidin-1-yl]-N-(1-phenylethyl)benzamide
• Synonyms: 4-[4-(cyclopentylamino)-1-piperidinyl]-N-(1-phenylethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.772099
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.0576437
• LogD (pH = 7.4): 1.3356441
• Log P: 4.295114
• Molar Refractivity: 120.0627 cm^3
• Polarizability: 46.08527 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: 4.32
• LOG S: -5.99
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 6