2-(1-benzyl-3-oxopiperazin-2-yl)-N-(2,2-diphenylethyl)acetamide

• ChemBase ID: 433420
• Molecular Formular: C27H29N3O2
• Molecular Mass: 427.53806
• Monoisotopic Mass: 427.22597718
• SMILES: N1(C(C(=O)NCC1)CC(=O)NCC(c1ccccc1)c1ccccc1)Cc1ccccc1
• Canonical SMILES: O=C(CC1C(=O)NCCN1Cc1ccccc1)NCC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C27H29N3O2/c31-26(18-25-27(32)28-16-17-30(25)20-21-10-4-1-5-11-21)29-19-24(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,24-25H,16-20H2,(H,28,32)(H,29,31)
• InChIKey: OEODMARRUVIZIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.159528
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.3401217
• LogD (pH = 7.4): 3.4262435
• Log P: 3.4934313
• Molar Refractivity: 126.6176 cm^3
• Polarizability: 49.32499 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: 4.43
• LOG S: -3.54
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 8