1-[2-(7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]piperidine-4-carboxamide

• ChemBase ID: 205266
• Molecular Formular: C19H22N2O5
• Molecular Mass: 358.38838
• Monoisotopic Mass: 358.15287181
• SMILES: c1(c(=O)oc2c(c1C)ccc(c2)OC)CC(=O)N1CCC(C(=O)N)CC1
• Canonical SMILES: COc1ccc2c(c1)oc(=O)c(c2C)CC(=O)N1CCC(CC1)C(=O)N
• InChI: InChI=1S/C19H22N2O5/c1-11-14-4-3-13(25-2)9-16(14)26-19(24)15(11)10-17(22)21-7-5-12(6-8-21)18(20)23/h3-4,9,12H,5-8,10H2,1-2H3,(H2,20,23)
• InChIKey: FPQBPIAYJMLDHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]piperidine-4-carboxamide
• IUPAC Traditional name: 1-[2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetyl]piperidine-4-carboxamide

Database IDs

• PubChem SID: 164261176
• PubChem CID: 1772500

CALCULATED PROPERTIES

• H Donor: 1
• LogD (pH = 5.5): 0.3515374
• LogD (pH = 7.4): 0.35153788
• Log P: 0.35153788
• Molar Refractivity: 94.737 cm^3
• Polarizability: 36.525032 Å^3
• Polar Surface Area: 98.93 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 14.711872
• H Acceptors: 4

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds