6-(piperidine-1-carbonyl)quinoxaline

• ChemBase ID: 126765
• Molecular Formular: C14H15N3O
• Molecular Mass: 241.2884
• Monoisotopic Mass: 241.12151212
• SMILES: O=C(c1cc2nccnc2cc1)N1CCCCC1
• Canonical SMILES: O=C(c1ccc2c(c1)nccn2)N1CCCCC1
• InChI: InChI=1S/C14H15N3O/c18-14(17-8-2-1-3-9-17)11-4-5-12-13(10-11)16-7-6-15-12/h4-7,10H,1-3,8-9H2
• InChIKey: ANDGGVOPIJEHOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(piperidine-1-carbonyl)quinoxaline
• IUPAC Traditional name: 6-(piperidine-1-carbonyl)quinoxaline
• Synonyms: CX-516; 1-Piperidinyl-6-quinoxalinylmethanone; 1-(6-Quinoxalinylcarbonyl)piperidine; BDP 12; CX 516; Ampalex; Piperidin-1-yl(quinoxalin-6-yl)methanone

Database IDs

• CAS Number: 154235-83-3
• PubChem SID: 162221093
• PubChem CID: 148184
• CHEMBL: 136800
• Chemspider ID: 130635
• KEGG ID: C13675
• Unique Ingredient Identifier: Z5QU38B4V9
• Wikipedia Title: CX-516

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4474194
• LogD (pH = 7.4): 1.4474367
• Log P: 1.4474369
• Molar Refractivity: 68.4642 cm^3
• Polarizability: 27.372702 Å^3
• Polar Surface Area: 46.09 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Methanol
• Apperance: Tan Solid
• Melting Point: 88-90°C

Safety Information

• Storage Condition: Refrigerator

Pharmacology Properties

• Half Life: 45 minutes

Product Information

• Purity: 95+%

DETAILS

Toronto Research Chemicals - A634275

It is one of a series of AMPA modulators for the potential treatment of Alzheimer's disease, schizophrenia, and mild cognitive impairment (MCI).

REFERENCES

• Morris, H., et al.: Nature, 328, 811 (1987)
• Addington, D., et al.: Schizophr. Res., 3, 247 (1987)
• Arai, A., et al.: Neuroscience, 75, 573 (1987)
• Vanover, K., et al.: Eur. J. Pharmacol., 332, 115 (1987)
• Platenik, J., et al.: Life Sci., 67, 335 (1987)