1-(pyrazine-2-carbonyl)piperidin-4-one

• ChemBase ID: 308236
• Molecular Formular: C10H11N3O2
• Molecular Mass: 205.21324
• Monoisotopic Mass: 205.08512661
• SMILES: C(=O)(N1CCC(=O)CC1)c1nccnc1
• Canonical SMILES: O=C(c1nccnc1)N1CCC(=O)CC1
• InChI: InChI=1S/C10H11N3O2/c14-8-1-5-13(6-2-8)10(15)9-7-11-3-4-12-9/h3-4,7H,1-2,5-6H2
• InChIKey: CKIRVBFUZRWNMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyrazine-2-carbonyl)piperidin-4-one
• IUPAC Traditional name: 1-(pyrazine-2-carbonyl)piperidin-4-one
• Synonyms: 1-(2-pyrazinylcarbonyl)-4-piperidinone

Database IDs

• CAS Number: 1060817-24-4
• MDL Number: MFCD11053936

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.7952932
• LogD (pH = 7.4): -0.795293
• Log P: -0.795293
• Molar Refractivity: 52.7194 cm^3
• Polarizability: 19.9895 Å^3
• Polar Surface Area: 63.16 Å^2