1-(2-methoxyphenyl)-4-(4-methoxyphenyl)-3-phenylpiperazine-2,5-dione

• ChemBase ID: 215830
• Molecular Formular: C24H22N2O4
• Molecular Mass: 402.44248
• Monoisotopic Mass: 402.15795719
• SMILES: N1(C(=O)C(N(C(=O)C1)c1ccc(cc1)OC)c1ccccc1)c1c(OC)cccc1
• Canonical SMILES: COc1ccc(cc1)N1C(=O)CN(C(=O)C1c1ccccc1)c1ccccc1OC
• InChI: InChI=1S/C24H22N2O4/c1-29-19-14-12-18(13-15-19)26-22(27)16-25(20-10-6-7-11-21(20)30-2)24(28)23(26)17-8-4-3-5-9-17/h3-15,23H,16H2,1-2H3
• InChIKey: MJERZHTWJCARLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyphenyl)-4-(4-methoxyphenyl)-3-phenylpiperazine-2,5-dione
• IUPAC Traditional name: 1-(2-methoxyphenyl)-4-(4-methoxyphenyl)-3-phenylpiperazine-2,5-dione

Database IDs

• PubChem SID: 164271740
• PubChem CID: 16406371

CALCULATED PROPERTIES

• Acid pKa: 12.025863
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.1737893
• LogD (pH = 7.4): 3.1737792
• Log P: 3.1737895
• Molar Refractivity: 112.2399 cm^3
• Polarizability: 43.575493 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds