1-(2-methoxyphenyl)-3,4-bis(4-methoxyphenyl)piperazine-2,5-dione

• ChemBase ID: 215869
• Molecular Formular: C25H24N2O5
• Molecular Mass: 432.46846
• Monoisotopic Mass: 432.16852188
• SMILES: N1(C(=O)C(N(C(=O)C1)c1ccc(cc1)OC)c1ccc(cc1)OC)c1c(OC)cccc1
• Canonical SMILES: COc1ccc(cc1)N1C(=O)CN(C(=O)C1c1ccc(cc1)OC)c1ccccc1OC
• InChI: InChI=1S/C25H24N2O5/c1-30-19-12-8-17(9-13-19)24-25(29)26(21-6-4-5-7-22(21)32-3)16-23(28)27(24)18-10-14-20(31-2)15-11-18/h4-15,24H,16H2,1-3H3
• InChIKey: ARWKYLKFZSJBEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164271779
• PubChem CID: 16406393

CALCULATED PROPERTIES

• Acid pKa: 12.025862
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.016118
• LogD (pH = 7.4): 3.0161078
• Log P: 3.016118
• Molar Refractivity: 118.7031 cm^3
• Polarizability: 46.097847 Å^3
• Polar Surface Area: 68.31 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds