2-(4-acetylphenoxy)-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide

• ChemBase ID: 615971
• Molecular Formular: C23H28N2O3
• Molecular Mass: 380.48002
• Monoisotopic Mass: 380.20999277
• SMILES: N1(CC(NC(=O)COc2ccc(C(=O)C)cc2)CCC1)CCc1ccccc1
• Canonical SMILES: O=C(NC1CCCN(C1)CCc1ccccc1)COc1ccc(cc1)C(=O)C
• InChI: InChI=1S/C23H28N2O3/c1-18(26)20-9-11-22(12-10-20)28-17-23(27)24-21-8-5-14-25(16-21)15-13-19-6-3-2-4-7-19/h2-4,6-7,9-12,21H,5,8,13-17H2,1H3,(H,24,27)
• InChIKey: BJEDWAQDBLBXKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-acetylphenoxy)-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide
• IUPAC Traditional name: 2-(4-acetylphenoxy)-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide
• Synonyms: 2-(4-acetylphenoxy)-N-[1-(2-phenylethyl)-3-piperidinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.006036
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.010165685
• LogD (pH = 7.4): 1.7790895
• Log P: 2.7652822
• Molar Refractivity: 110.3254 cm^3
• Polarizability: 42.838028 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.72
• LOG S: -3.46
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 8