methyl 1-(1-methyl-2-oxo-1,2-dihydropyridine-4-carbonyl)piperidine-4-carboxylate

• ChemBase ID: 268131
• Molecular Formular: C14H18N2O4
• Molecular Mass: 278.30372
• Monoisotopic Mass: 278.12665707
• SMILES: c1(C(=O)N2CCC(C(=O)OC)CC2)cc(=O)n(cc1)C
• Canonical SMILES: COC(=O)C1CCN(CC1)C(=O)c1ccn(c(=O)c1)C
• InChI: InChI=1S/C14H18N2O4/c1-15-6-3-11(9-12(15)17)13(18)16-7-4-10(5-8-16)14(19)20-2/h3,6,9-10H,4-5,7-8H2,1-2H3
• InChIKey: FMUXJQINYPDASI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 1-(1-methyl-2-oxo-1,2-dihydropyridine-4-carbonyl)piperidine-4-carboxylate
• IUPAC Traditional name: methyl 1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-4-carboxylate
• Synonyms: methyl 1-[(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)carbonyl]piperidine-4-carboxylate

Database IDs

• MDL Number: MFCD13690842
• PubChem SID: 164324041
• PubChem CID: 43423513

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.46517554
• LogD (pH = 7.4): -0.46499622
• Log P: -0.46499395
• Molar Refractivity: 73.7078 cm^3
• Polarizability: 27.821163 Å^3
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.209

Product Information

• Purity: 95%