2-[(1-cyclopentylpiperidin-4-yl)oxy]-5-methoxy-N-methyl-N-(2-methylpropyl)benzamide

• ChemBase ID: 573385
• Molecular Formular: C23H36N2O3
• Molecular Mass: 388.54354
• Monoisotopic Mass: 388.27259302
• SMILES: c1(C(=O)N(CC(C)C)C)c(OC2CCN(CC2)C2CCCC2)ccc(c1)OC
• Canonical SMILES: COc1ccc(c(c1)C(=O)N(CC(C)C)C)OC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C23H36N2O3/c1-17(2)16-24(3)23(26)21-15-20(27-4)9-10-22(21)28-19-11-13-25(14-12-19)18-7-5-6-8-18/h9-10,15,17-19H,5-8,11-14,16H2,1-4H3
• InChIKey: PLRHZJRQJDLBGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1-cyclopentylpiperidin-4-yl)oxy]-5-methoxy-N-methyl-N-(2-methylpropyl)benzamide
• IUPAC Traditional name: 2-[(1-cyclopentylpiperidin-4-yl)oxy]-5-methoxy-N-methyl-N-(2-methylpropyl)benzamide
• Synonyms: 2-[(1-cyclopentyl-4-piperidinyl)oxy]-N-isobutyl-5-methoxy-N-methylbenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.20893955
• LogD (pH = 7.4): 1.52978
• Log P: 3.5817068
• Molar Refractivity: 113.4647 cm^3
• Polarizability: 44.04616 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.58
• LOG S: -3.69
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 5