1-[2-(5,7-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]piperidine-4-carboxamide

• ChemBase ID: 206864
• Molecular Formular: C20H24N2O6
• Molecular Mass: 388.41436
• Monoisotopic Mass: 388.1634365
• SMILES: c1(c(c2c(oc1=O)cc(cc2OC)OC)C)CC(=O)N1CCC(C(=O)N)CC1
• Canonical SMILES: COc1cc(OC)cc2c1c(C)c(c(=O)o2)CC(=O)N1CCC(CC1)C(=O)N
• InChI: InChI=1S/C20H24N2O6/c1-11-14(10-17(23)22-6-4-12(5-7-22)19(21)24)20(25)28-16-9-13(26-2)8-15(27-3)18(11)16/h8-9,12H,4-7,10H2,1-3H3,(H2,21,24)
• InChIKey: WFJQJFIHGGOCHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(5,7-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]piperidine-4-carboxamide
• IUPAC Traditional name: 1-[2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]piperidine-4-carboxamide

Database IDs

• PubChem SID: 164262774
• PubChem CID: 1777421

CALCULATED PROPERTIES

• Acid pKa: 14.625108
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.19386615
• LogD (pH = 7.4): 0.1938666
• Log P: 0.19386663
• Molar Refractivity: 101.2002 cm^3
• Polarizability: 39.07036 Å^3
• Polar Surface Area: 108.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds