4-(2,2-diphenylacetyl)-1-phenylpiperazin-2-one

• ChemBase ID: 590974
• Molecular Formular: C24H22N2O2
• Molecular Mass: 370.44368
• Monoisotopic Mass: 370.16812795
• SMILES: N1(C(=O)C(c2ccccc2)c2ccccc2)CC(=O)N(CC1)c1ccccc1
• Canonical SMILES: O=C1CN(CCN1c1ccccc1)C(=O)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C24H22N2O2/c27-22-18-25(16-17-26(22)21-14-8-3-9-15-21)24(28)23(19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-15,23H,16-18H2
• InChIKey: MAEOHRGJJFOJBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,2-diphenylacetyl)-1-phenylpiperazin-2-one
• IUPAC Traditional name: 4-(2,2-diphenylacetyl)-1-phenylpiperazin-2-one
• Synonyms: 4-(diphenylacetyl)-1-phenyl-2-piperazinone

CALCULATED PROPERTIES

JChem

• LogD (pH = 5.5): 3.5330203
• LogD (pH = 7.4): 3.5330203
• Log P: 3.5330203
• Molar Refractivity: 109.1595 cm^3
• Polarizability: 42.254017 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 15.301812
• H Acceptors: 2
• H Donor: 0

供应商提供(Chembridge)

• Log P: 3.94
• LOG S: -5.27
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 4
• H Acceptors: 2
• H Donor: 0