2-[(1-cyclopentylpiperidin-4-yl)oxy]-N-(2,3-dihydro-1H-inden-2-yl)-5-methoxybenzamide

• ChemBase ID: 510029
• Molecular Formular: C27H34N2O3
• Molecular Mass: 434.57046
• Monoisotopic Mass: 434.25694296
• SMILES: c1(C(=O)NC2Cc3c(C2)cccc3)c(OC2CCN(CC2)C2CCCC2)ccc(c1)OC
• Canonical SMILES: COc1ccc(c(c1)C(=O)NC1Cc2c(C1)cccc2)OC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C27H34N2O3/c1-31-24-10-11-26(32-23-12-14-29(15-13-23)22-8-4-5-9-22)25(18-24)27(30)28-21-16-19-6-2-3-7-20(19)17-21/h2-3,6-7,10-11,18,21-23H,4-5,8-9,12-17H2,1H3,(H,28,30)
• InChIKey: AUBOZBNTMAGEHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1-cyclopentylpiperidin-4-yl)oxy]-N-(2,3-dihydro-1H-inden-2-yl)-5-methoxybenzamide
• IUPAC Traditional name: 2-[(1-cyclopentylpiperidin-4-yl)oxy]-N-(2,3-dihydro-1H-inden-2-yl)-5-methoxybenzamide
• Synonyms: 2-[(1-cyclopentyl-4-piperidinyl)oxy]-N-(2,3-dihydro-1H-inden-2-yl)-5-methoxybenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.826374
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.8535668
• LogD (pH = 7.4): 2.1739058
• Log P: 4.2265177
• Molar Refractivity: 127.1712 cm^3
• Polarizability: 49.22948 Å^3
• Polar Surface Area: 50.8 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: 4.27
• LOG S: -6.19
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 5