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

• ChemBase ID: 571298
• Molecular Formular: C24H30N2O3
• Molecular Mass: 394.5066
• Monoisotopic Mass: 394.22564283
• SMILES: N1(CC(NC(=O)COc2ccc(C(=O)C)cc2)CCC1)CCCc1ccccc1
• Canonical SMILES: O=C(NC1CCCN(C1)CCCc1ccccc1)COc1ccc(cc1)C(=O)C
• InChI: InChI=1S/C24H30N2O3/c1-19(27)21-11-13-23(14-12-21)29-18-24(28)25-22-10-6-16-26(17-22)15-5-9-20-7-3-2-4-8-20/h2-4,7-8,11-14,22H,5-6,9-10,15-18H2,1H3,(H,25,28)
• InChIKey: XJZSZEYSZPJITQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.010874
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.29098195
• LogD (pH = 7.4): 2.0320756
• Log P: 3.2098508
• Molar Refractivity: 114.9264 cm^3
• Polarizability: 44.68203 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.09
• LOG S: -3.89
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 9