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

• ChemBase ID: 566078
• Molecular Formular: C23H29N3O2
• Molecular Mass: 379.49526
• Monoisotopic Mass: 379.22597718
• SMILES: N1(C(C(=O)NCC1)CC(=O)NCCC)CC(c1ccccc1)c1ccccc1
• Canonical SMILES: CCCNC(=O)CC1N(CCNC1=O)CC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C23H29N3O2/c1-2-13-24-22(27)16-21-23(28)25-14-15-26(21)17-20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20-21H,2,13-17H2,1H3,(H,24,27)(H,25,28)
• InChIKey: SPJLNIMXFCUPNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.431193
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.6821186
• LogD (pH = 7.4): 2.3086638
• Log P: 2.6482885
• Molar Refractivity: 111.2776 cm^3
• Polarizability: 43.32146 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.17
• LOG S: -3.82
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 8