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

• ChemBase ID: 862759
• Molecular Formular: C19H27ClN2O3
• Molecular Mass: 366.88228
• Monoisotopic Mass: 366.17102041
• SMILES: c1(c(OC2CCN(CC2)C2CCCC2)ccc(c1)Cl)C(=O)NCCO
• Canonical SMILES: OCCNC(=O)c1cc(Cl)ccc1OC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C19H27ClN2O3/c20-14-5-6-18(17(13-14)19(24)21-9-12-23)25-16-7-10-22(11-8-16)15-3-1-2-4-15/h5-6,13,15-16,23H,1-4,7-12H2,(H,21,24)
• InChIKey: FWBJNPDROOSUQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.668047
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.1811457
• LogD (pH = 7.4): 0.15638383
• Log P: 2.1853416
• Molar Refractivity: 99.4577 cm^3
• Polarizability: 38.50763 Å^3
• Polar Surface Area: 61.8 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 3.0
• LOG S: -4.44
• Polar Surface Area: 61.8 Å^2
• Rotatable Bonds: 6