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

• ChemBase ID: 205319
• Molecular Formular: C20H24N2O5
• Molecular Mass: 372.41496
• Monoisotopic Mass: 372.16852188
• SMILES: c1(c(=O)oc2c(c1C)ccc(c2)OC)CCC(=O)N1CCC(C(=O)N)CC1
• Canonical SMILES: COc1ccc2c(c1)oc(=O)c(c2C)CCC(=O)N1CCC(CC1)C(=O)N
• InChI: InChI=1S/C20H24N2O5/c1-12-15-4-3-14(26-2)11-17(15)27-20(25)16(12)5-6-18(23)22-9-7-13(8-10-22)19(21)24/h3-4,11,13H,5-10H2,1-2H3,(H2,21,24)
• InChIKey: HDOPRUZOPGLFLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164261229
• PubChem CID: 1772683

CALCULATED PROPERTIES

• Acid pKa: 16.234707
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.79610384
• LogD (pH = 7.4): 0.7961065
• Log P: 0.7961066
• Molar Refractivity: 99.338 cm^3
• Polarizability: 38.358597 Å^3
• Polar Surface Area: 98.93 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds