N-[(4-hydroxyphenyl)methyl]-2-(3-phenylpiperidin-1-yl)acetamide

• ChemBase ID: 385404
• Molecular Formular: C20H24N2O2
• Molecular Mass: 324.41676
• Monoisotopic Mass: 324.18377802
• SMILES: N1(CC(c2ccccc2)CCC1)CC(=O)NCc1ccc(cc1)O
• Canonical SMILES: O=C(CN1CCCC(C1)c1ccccc1)NCc1ccc(cc1)O
• InChI: InChI=1S/C20H24N2O2/c23-19-10-8-16(9-11-19)13-21-20(24)15-22-12-4-7-18(14-22)17-5-2-1-3-6-17/h1-3,5-6,8-11,18,23H,4,7,12-15H2,(H,21,24)
• InChIKey: PSZWKJBEPJFMLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-hydroxyphenyl)methyl]-2-(3-phenylpiperidin-1-yl)acetamide
• IUPAC Traditional name: N-[(4-hydroxyphenyl)methyl]-2-(3-phenylpiperidin-1-yl)acetamide
• Synonyms: N-(4-hydroxybenzyl)-2-(3-phenyl-1-piperidinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.497693
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.58814806
• LogD (pH = 7.4): 2.313125
• Log P: 2.7080681
• Molar Refractivity: 96.0937 cm^3
• Polarizability: 37.193268 Å^3
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.03
• LOG S: -3.57
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 5