2-[(1-cyclopentylpiperidin-4-yl)oxy]-N-(2-hydroxyethyl)-5-methoxybenzamide

• ChemBase ID: 516027
• Molecular Formular: C20H30N2O4
• Molecular Mass: 362.4632
• Monoisotopic Mass: 362.22055745
• SMILES: c1(c(OC2CCN(CC2)C2CCCC2)ccc(c1)OC)C(=O)NCCO
• Canonical SMILES: OCCNC(=O)c1cc(OC)ccc1OC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C20H30N2O4/c1-25-17-6-7-19(18(14-17)20(24)21-10-13-23)26-16-8-11-22(12-9-16)15-4-2-3-5-15/h6-7,14-16,23H,2-5,8-13H2,1H3,(H,21,24)
• InChIKey: IKYAFCTWNBNPOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1-cyclopentylpiperidin-4-yl)oxy]-N-(2-hydroxyethyl)-5-methoxybenzamide
• IUPAC Traditional name: 2-[(1-cyclopentylpiperidin-4-yl)oxy]-N-(2-hydroxyethyl)-5-methoxybenzamide
• Synonyms: 2-[(1-cyclopentylpiperidin-4-yl)oxy]-N-(2-hydroxyethyl)-5-methoxybenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.691376
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.9493451
• LogD (pH = 7.4): -0.6290611
• Log P: 1.4236256
• Molar Refractivity: 101.1161 cm^3
• Polarizability: 39.152214 Å^3
• Polar Surface Area: 71.03 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.74
• LOG S: -3.33
• Polar Surface Area: 71.03 Å^2
• Rotatable Bonds: 7