N-cyclopentyl-4-{[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy}benzamide

• ChemBase ID: 794678
• Molecular Formular: C23H29N3O2
• Molecular Mass: 379.49526
• Monoisotopic Mass: 379.22597718
• SMILES: C(=O)(NC1CCCC1)c1ccc(OC2CCN(Cc3ncccc3)CC2)cc1
• Canonical SMILES: O=C(c1ccc(cc1)OC1CCN(CC1)Cc1ccccn1)NC1CCCC1
• InChI: InChI=1S/C23H29N3O2/c27-23(25-19-5-1-2-6-19)18-8-10-21(11-9-18)28-22-12-15-26(16-13-22)17-20-7-3-4-14-24-20/h3-4,7-11,14,19,22H,1-2,5-6,12-13,15-17H2,(H,25,27)
• InChIKey: JCFVOSFJHHYJCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-4-{[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy}benzamide
• IUPAC Traditional name: N-cyclopentyl-4-{[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy}benzamide
• Synonyms: N-cyclopentyl-4-{[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.156947
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1973245
• LogD (pH = 7.4): 2.6624615
• Log P: 2.8596716
• Molar Refractivity: 110.2941 cm^3
• Polarizability: 42.856316 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.84
• LOG S: -3.09
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 6