1-(pyridine-4-carbonyl)piperidin-4-one

• ChemBase ID: 308295
• Molecular Formular: C11H12N2O2
• Molecular Mass: 204.22518
• Monoisotopic Mass: 204.08987763
• SMILES: C(=O)(N1CCC(=O)CC1)c1ccncc1
• Canonical SMILES: O=C(c1ccncc1)N1CCC(=O)CC1
• InChI: InChI=1S/C11H12N2O2/c14-10-3-7-13(8-4-10)11(15)9-1-5-12-6-2-9/h1-2,5-6H,3-4,7-8H2
• InChIKey: IJBXMPPOSCEZSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyridine-4-carbonyl)piperidin-4-one
• IUPAC Traditional name: 1-(pyridine-4-carbonyl)piperidin-4-one
• Synonyms: 1-isonicotinoyl-4-piperidinone

Database IDs

• MDL Number: MFCD09940071

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.033666916
• LogD (pH = 7.4): 0.036492962
• Log P: 0.036529142
• Molar Refractivity: 55.2483 cm^3
• Polarizability: 20.837002 Å^3
• Polar Surface Area: 50.27 Å^2