N-cyclopentyl-4-(4-{[(1-methyl-2,3-dihydro-1H-indol-5-yl)methyl]amino}piperidin-1-yl)benzamide

• ChemBase ID: 757414
• Molecular Formular: C27H36N4O
• Molecular Mass: 432.60094
• Monoisotopic Mass: 432.28891179
• SMILES: C(=O)(NC1CCCC1)c1ccc(N2CCC(NCc3cc4c(N(CC4)C)cc3)CC2)cc1
• Canonical SMILES: O=C(c1ccc(cc1)N1CCC(CC1)NCc1ccc2c(c1)CCN2C)NC1CCCC1
• InChI: InChI=1S/C27H36N4O/c1-30-15-12-22-18-20(6-11-26(22)30)19-28-23-13-16-31(17-14-23)25-9-7-21(8-10-25)27(32)29-24-4-2-3-5-24/h6-11,18,23-24,28H,2-5,12-17,19H2,1H3,(H,29,32)
• InChIKey: DDRPJQIDLJYRCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-4-(4-{[(1-methyl-2,3-dihydro-1H-indol-5-yl)methyl]amino}piperidin-1-yl)benzamide
• IUPAC Traditional name: N-cyclopentyl-4-(4-{[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino}piperidin-1-yl)benzamide
• Synonyms: N-cyclopentyl-4-(4-{[(1-methyl-2,3-dihydro-1H-indol-5-yl)methyl]amino}-1-piperidinyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.793376
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.8082834
• LogD (pH = 7.4): 1.6253803
• Log P: 4.0264716
• Molar Refractivity: 133.3821 cm^3
• Polarizability: 50.086803 Å^3
• Polar Surface Area: 47.61 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: 4.49
• LOG S: -5.64
• Polar Surface Area: 47.61 Å^2
• Rotatable Bonds: 6