4-(2-methoxy-2-phenylacetyl)-1-(3-methoxyphenyl)piperazin-2-one

• ChemBase ID: 691025
• Molecular Formular: C20H22N2O4
• Molecular Mass: 354.39968
• Monoisotopic Mass: 354.15795719
• SMILES: N1(C(=O)C(c2ccccc2)OC)CC(=O)N(c2cc(OC)ccc2)CC1
• Canonical SMILES: COC(C(=O)N1CCN(C(=O)C1)c1cccc(c1)OC)c1ccccc1
• InChI: InChI=1S/C20H22N2O4/c1-25-17-10-6-9-16(13-17)22-12-11-21(14-18(22)23)20(24)19(26-2)15-7-4-3-5-8-15/h3-10,13,19H,11-12,14H2,1-2H3
• InChIKey: SKQXAMIHRRINKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-methoxy-2-phenylacetyl)-1-(3-methoxyphenyl)piperazin-2-one
• IUPAC Traditional name: 4-(2-methoxy-2-phenylacetyl)-1-(3-methoxyphenyl)piperazin-2-one
• Synonyms: 1-(3-methoxyphenyl)-4-[methoxy(phenyl)acetyl]-2-piperazinone

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.294404
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.6265267
• LogD (pH = 7.4): 1.6265267
• Log P: 1.6265267
• Molar Refractivity: 97.0426 cm^3
• Polarizability: 37.700172 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.76
• LOG S: -4.14
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 5