N-(3-cyclopentylpropyl)-4-{[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy}benzamide

• ChemBase ID: 386672
• Molecular Formular: C26H35N3O2
• Molecular Mass: 421.575
• Monoisotopic Mass: 421.27292738
• SMILES: C(=O)(c1ccc(OC2CCN(Cc3ncccc3)CC2)cc1)NCCCC1CCCC1
• Canonical SMILES: O=C(c1ccc(cc1)OC1CCN(CC1)Cc1ccccn1)NCCCC1CCCC1
• InChI: InChI=1S/C26H35N3O2/c30-26(28-17-5-8-21-6-1-2-7-21)22-10-12-24(13-11-22)31-25-14-18-29(19-15-25)20-23-9-3-4-16-27-23/h3-4,9-13,16,21,25H,1-2,5-8,14-15,17-20H2,(H,28,30)
• InChIKey: LRCXGVABOGRJGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-cyclopentylpropyl)-4-{[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy}benzamide
• IUPAC Traditional name: N-(3-cyclopentylpropyl)-4-{[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy}benzamide
• Synonyms: N-(3-cyclopentylpropyl)-4-{[1-(2-pyridinylmethyl)-4-piperidinyl]oxy}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.064349
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.3234162
• LogD (pH = 7.4): 3.7886183
• Log P: 3.9858677
• Molar Refractivity: 124.3039 cm^3
• Polarizability: 48.386932 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.56
• LOG S: -6.03
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 9