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

• ChemBase ID: 367775
• Molecular Formular: C24H29N3O2
• Molecular Mass: 391.50596
• Monoisotopic Mass: 391.22597718
• SMILES: N1(C(C(=O)NCC1)CC(=O)NC1CCC1)CC(c1ccccc1)c1ccccc1
• Canonical SMILES: O=C(CC1N(CCNC1=O)CC(c1ccccc1)c1ccccc1)NC1CCC1
• InChI: InChI=1S/C24H29N3O2/c28-23(26-20-12-7-13-20)16-22-24(29)25-14-15-27(22)17-21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,20-22H,7,12-17H2,(H,25,29)(H,26,28)
• InChIKey: UBORSXXJHYPCJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.374817
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.7625726
• LogD (pH = 7.4): 2.3667033
• Log P: 2.6790915
• Molar Refractivity: 113.8172 cm^3
• Polarizability: 44.432682 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: 3.62
• LOG S: -2.66
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 7