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

• ChemBase ID: 405890
• Molecular Formular: C23H29N3O2
• Molecular Mass: 379.49526
• Monoisotopic Mass: 379.22597718
• SMILES: N1(C(C(=O)NCC1)CC(=O)NC(C)C)CC(c1ccccc1)c1ccccc1
• Canonical SMILES: CC(NC(=O)CC1N(CCNC1=O)CC(c1ccccc1)c1ccccc1)C
• InChI: InChI=1S/C23H29N3O2/c1-17(2)25-22(27)15-21-23(28)24-13-14-26(21)16-20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20-21H,13-16H2,1-2H3,(H,24,28)(H,25,27)
• InChIKey: LSCRONSYQGHDGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.427347
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.6258221
• LogD (pH = 7.4): 2.229955
• Log P: 2.5423412
• Molar Refractivity: 111.1724 cm^3
• Polarizability: 43.32146 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.54
• LOG S: -2.36
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 6