2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N,N-diethylacetamide

• ChemBase ID: 398090
• Molecular Formular: C24H31N3O2
• Molecular Mass: 393.52184
• Monoisotopic Mass: 393.24162725
• SMILES: N1(C(CC(=O)N(CC)CC)C(=O)NCC1)CC(c1ccccc1)c1ccccc1
• Canonical SMILES: CCN(C(=O)CC1N(CCNC1=O)CC(c1ccccc1)c1ccccc1)CC
• InChI: InChI=1S/C24H31N3O2/c1-3-26(4-2)23(28)17-22-24(29)25-15-16-27(22)18-21(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,21-22H,3-4,15-18H2,1-2H3,(H,25,29)
• InChIKey: BKUAMDGKLQSHIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N,N-diethylacetamide
• IUPAC Traditional name: 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N,N-diethylacetamide
• Synonyms: 2-[1-(2,2-diphenylethyl)-3-oxo-2-piperazinyl]-N,N-diethylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.474982
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.72542006
• LogD (pH = 7.4): 2.3582819
• Log P: 2.7062502
• Molar Refractivity: 116.3989 cm^3
• Polarizability: 45.165524 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.1
• LOG S: -3.86
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 8