N-[4-(3,3-diphenylpiperidin-1-yl)-4-oxobutan-2-yl]acetamide

• ChemBase ID: 477199
• Molecular Formular: C23H28N2O2
• Molecular Mass: 364.48062
• Monoisotopic Mass: 364.21507815
• SMILES: N1(C(=O)CC(NC(=O)C)C)CC(c2ccccc2)(c2ccccc2)CCC1
• Canonical SMILES: CC(CC(=O)N1CCCC(C1)(c1ccccc1)c1ccccc1)NC(=O)C
• InChI: InChI=1S/C23H28N2O2/c1-18(24-19(2)26)16-22(27)25-15-9-14-23(17-25,20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13,18H,9,14-17H2,1-2H3,(H,24,26)
• InChIKey: RQEJMMGOCALMJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(3,3-diphenylpiperidin-1-yl)-4-oxobutan-2-yl]acetamide
• IUPAC Traditional name: N-[4-(3,3-diphenylpiperidin-1-yl)-4-oxobutan-2-yl]acetamide
• Synonyms: N-[3-(3,3-diphenylpiperidin-1-yl)-1-methyl-3-oxopropyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.830712
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.8263159
• LogD (pH = 7.4): 2.826316
• Log P: 2.826316
• Molar Refractivity: 117.8771 cm^3
• Polarizability: 41.87383 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.15
• LOG S: -4.46
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 5