6-[(2H10)piperidine-1-carbonyl]quinoxaline

• ChemBase ID: 160591
• Molecular Formular: C14H15N3O
• Molecular Mass: 241.2884
• Monoisotopic Mass: 241.12151212
• SMILES: C1CCCN(C1)C(=O)c1ccc2c(c1)nccn2
• 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-[(^2H₁₀)piperidine-1-carbonyl]quinoxaline
• IUPAC Traditional name: 6-[(^2H₁₀)piperidine-1-carbonyl]quinoxaline
• Synonyms: 1-(Piperidinyl-d10)-6-quinoxalinylmethanone; 1-(6-Quinoxalinylcarbonyl)piperidine-d10; BDP 12-d10; CX 516-d10; Ampalex-d10

Database IDs

• PubChem SID: 162254726
• PubChem CID: 71313390

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4474186
• LogD (pH = 7.4): 1.4474367
• Log P: 1.4474369
• Molar Refractivity: 68.4642 cm^3
• Polarizability: 27.372877 Å^3
• Polar Surface Area: 46.09 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - A634277

Labelled Ampalex. 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)