7-methyl-4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde

• ChemBase ID: 311119
• Molecular Formular: C15H17N3O2
• Molecular Mass: 271.31438
• Monoisotopic Mass: 271.1320768
• SMILES: c1(nc2n(c(=O)c1C=O)cc(cc2)C)N1CCCCC1
• Canonical SMILES: O=Cc1c(nc2n(c1=O)cc(cc2)C)N1CCCCC1
• InChI: InChI=1S/C15H17N3O2/c1-11-5-6-13-16-14(17-7-3-2-4-8-17)12(10-19)15(20)18(13)9-11/h5-6,9-10H,2-4,7-8H2,1H3
• InChIKey: HFXUSQVHWHQZJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
• IUPAC Traditional name: 7-methyl-4-oxo-2-(piperidin-1-yl)pyrido[1,2-a]pyrimidine-3-carbaldehyde
• Synonyms: 7-methyl-4-oxo-2-piperidin-1-yl-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde

Database IDs

• CAS Number: 300586-42-9
• MDL Number: MFCD00818793

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.374806
• LogD (pH = 7.4): 1.374849
• Log P: 1.3748496
• Molar Refractivity: 87.5073 cm^3
• Polarizability: 28.601105 Å^3
• Polar Surface Area: 52.98 Å^2