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

• ChemBase ID: 267694
• Molecular Formular: C15H20N2O4
• Molecular Mass: 292.3303
• Monoisotopic Mass: 292.14230713
• SMILES: c1(C(=O)N2CCC(C(=O)OCC)CC2)cc(=O)n(cc1)C
• Canonical SMILES: CCOC(=O)C1CCN(CC1)C(=O)c1ccn(c(=O)c1)C
• InChI: InChI=1S/C15H20N2O4/c1-3-21-15(20)11-5-8-17(9-6-11)14(19)12-4-7-16(2)13(18)10-12/h4,7,10-11H,3,5-6,8-9H2,1-2H3
• InChIKey: CQPYFFJUMAUJNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13690839
• PubChem SID: 164323604
• PubChem CID: 43423507

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.10836757
• LogD (pH = 7.4): -0.10818828
• Log P: -0.10818599
• Molar Refractivity: 78.4564 cm^3
• Polarizability: 29.651487 Å^3
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.68

Product Information

• Purity: 95%