N-cyclopentyl-4-(4-{[2-(pyridin-3-yloxy)ethyl]amino}piperidin-1-yl)benzamide

• ChemBase ID: 787428
• Molecular Formular: C24H32N4O2
• Molecular Mass: 408.53648
• Monoisotopic Mass: 408.25252628
• SMILES: C(=O)(NC1CCCC1)c1ccc(N2CCC(CC2)NCCOc2cnccc2)cc1
• Canonical SMILES: O=C(c1ccc(cc1)N1CCC(CC1)NCCOc1cccnc1)NC1CCCC1
• InChI: InChI=1S/C24H32N4O2/c29-24(27-21-4-1-2-5-21)19-7-9-22(10-8-19)28-15-11-20(12-16-28)26-14-17-30-23-6-3-13-25-18-23/h3,6-10,13,18,20-21,26H,1-2,4-5,11-12,14-17H2,(H,27,29)
• InChIKey: IOSQYNZLFJJSOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-4-(4-{[2-(pyridin-3-yloxy)ethyl]amino}piperidin-1-yl)benzamide
• IUPAC Traditional name: N-cyclopentyl-4-(4-{[2-(pyridin-3-yloxy)ethyl]amino}piperidin-1-yl)benzamide
• Synonyms: N-cyclopentyl-4-(4-{[2-(3-pyridinyloxy)ethyl]amino}-1-piperidinyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.793376
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.65521014
• LogD (pH = 7.4): 0.48713702
• Log P: 2.5804434
• Molar Refractivity: 119.4266 cm^3
• Polarizability: 45.840057 Å^3
• Polar Surface Area: 66.49 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 3.13
• LOG S: -5.16
• Polar Surface Area: 66.49 Å^2
• Rotatable Bonds: 8