1-(2-{[4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl]oxy}acetyl)piperidine-4-carboxamide

• ChemBase ID: 207330
• Molecular Formular: C24H24N2O6
• Molecular Mass: 436.45716
• Monoisotopic Mass: 436.1634365
• SMILES: c1(c2c(oc(=O)c1)cc(OCC(=O)N1CCC(C(=O)N)CC1)cc2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1ccc(c2)OCC(=O)N1CCC(CC1)C(=O)N
• InChI: InChI=1S/C24H24N2O6/c1-30-17-4-2-15(3-5-17)20-13-23(28)32-21-12-18(6-7-19(20)21)31-14-22(27)26-10-8-16(9-11-26)24(25)29/h2-7,12-13,16H,8-11,14H2,1H3,(H2,25,29)
• InChIKey: LVGHNELIBYKSRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-{[4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl]oxy}acetyl)piperidine-4-carboxamide
• IUPAC Traditional name: 1-(2-{[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxy}acetyl)piperidine-4-carboxamide

Database IDs

• PubChem SID: 164263240
• PubChem CID: 1779403

CALCULATED PROPERTIES

• Molar Refractivity: 125.932 cm^3
• Polarizability: 44.93109 Å^3
• Polar Surface Area: 108.16 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 15.665188
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.2857761
• LogD (pH = 7.4): 1.2857765
• Log P: 1.2857765

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds