4-[2-(benzyloxy)acetyl]-1-phenylpiperazin-2-one

• ChemBase ID: 864310
• Molecular Formular: C19H20N2O3
• Molecular Mass: 324.3737
• Monoisotopic Mass: 324.14739251
• SMILES: N1(C(=O)CN(C(=O)COCc2ccccc2)CC1)c1ccccc1
• Canonical SMILES: O=C(N1CCN(C(=O)C1)c1ccccc1)COCc1ccccc1
• InChI: InChI=1S/C19H20N2O3/c22-18-13-20(11-12-21(18)17-9-5-2-6-10-17)19(23)15-24-14-16-7-3-1-4-8-16/h1-10H,11-15H2
• InChIKey: FYPGBVAONSPDSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(benzyloxy)acetyl]-1-phenylpiperazin-2-one
• IUPAC Traditional name: 4-[2-(benzyloxy)acetyl]-1-phenylpiperazin-2-one
• Synonyms: 4-[(benzyloxy)acetyl]-1-phenyl-2-piperazinone

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.300099
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5722417
• LogD (pH = 7.4): 1.5722417
• Log P: 1.5722417
• Molar Refractivity: 90.8341 cm^3
• Polarizability: 35.17675 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.67
• LOG S: -3.85
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 5