2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-cyclopentylpropanamide

• ChemBase ID: 768212
• Molecular Formular: C19H27ClN2O2
• Molecular Mass: 350.88288
• Monoisotopic Mass: 350.17610579
• SMILES: C(=O)(NC1CCCC1)C(N1CCC(CC1)(c1ccc(cc1)Cl)O)C
• Canonical SMILES: CC(C(=O)NC1CCCC1)N1CCC(CC1)(O)c1ccc(cc1)Cl
• InChI: InChI=1S/C19H27ClN2O2/c1-14(18(23)21-17-4-2-3-5-17)22-12-10-19(24,11-13-22)15-6-8-16(20)9-7-15/h6-9,14,17,24H,2-5,10-13H2,1H3,(H,21,23)
• InChIKey: LIXFOKQVUWWCIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-cyclopentylpropanamide
• IUPAC Traditional name: 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-cyclopentylpropanamide
• Synonyms: 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-cyclopentylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.937752
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.80385435
• LogD (pH = 7.4): 2.3354814
• Log P: 2.5786984
• Molar Refractivity: 96.73 cm^3
• Polarizability: 38.023895 Å^3
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.92
• LOG S: -4.25
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 4