N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-2-(piperidin-4-yl)acetamide

• ChemBase ID: 316226
• Molecular Formular: C21H26N2O2
• Molecular Mass: 338.44334
• Monoisotopic Mass: 338.19942808
• SMILES: [C@@H](NC(=O)CC1CCNCC1)([C@@H](c1ccccc1)O)c1ccccc1
• Canonical SMILES: O=C(N[C@H]([C@@H](c1ccccc1)O)c1ccccc1)CC1CCNCC1
• InChI: InChI=1S/C21H26N2O2/c24-19(15-16-11-13-22-14-12-16)23-20(17-7-3-1-4-8-17)21(25)18-9-5-2-6-10-18/h1-10,16,20-22,25H,11-15H2,(H,23,24)/t20-,21+/m0/s1
• InChIKey: VZGZBFWDDDVGPJ-LEWJYISDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-2-(piperidin-4-yl)acetamide
• IUPAC Traditional name: N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-2-(piperidin-4-yl)acetamide
• Synonyms: N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-2-piperidin-4-ylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.30712
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.8574486
• LogD (pH = 7.4): -0.19185056
• Log P: 2.3639455
• Molar Refractivity: 99.2272 cm^3
• Polarizability: 39.127678 Å^3
• Polar Surface Area: 61.36 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 2.53
• LOG S: -3.83
• Polar Surface Area: 61.36 Å^2
• Rotatable Bonds: 6