ethyl 2-[1-(quinoxaline-6-carbonyl)piperidin-2-yl]acetate

• ChemBase ID: 313821
• Molecular Formular: C18H21N3O3
• Molecular Mass: 327.37764
• Monoisotopic Mass: 327.15829155
• SMILES: N1(C(=O)c2cc3nccnc3cc2)C(CC(=O)OCC)CCCC1
• Canonical SMILES: CCOC(=O)CC1CCCCN1C(=O)c1ccc2c(c1)nccn2
• InChI: InChI=1S/C18H21N3O3/c1-2-24-17(22)12-14-5-3-4-10-21(14)18(23)13-6-7-15-16(11-13)20-9-8-19-15/h6-9,11,14H,2-5,10,12H2,1H3
• InChIKey: SZBBVRIKMRAAES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-[1-(quinoxaline-6-carbonyl)piperidin-2-yl]acetate
• IUPAC Traditional name: ethyl 2-[1-(quinoxaline-6-carbonyl)piperidin-2-yl]acetate
• Synonyms: ethyl [1-(6-quinoxalinylcarbonyl)-2-piperidinyl]acetate

CALCULATED PROPERTIES

JChem

• Polarizability: 35.498367 Å^3
• Polar Surface Area: 72.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7248845
• LogD (pH = 7.4): 1.7249018
• Log P: 1.724902
• Molar Refractivity: 88.4361 cm^3

供应商提供(Chembridge)

• Polar Surface Area: 72.39 Å^2
• Rotatable Bonds: 5
• H Acceptors: 5
• H Donor: 0
• Log P: 0.95
• LOG S: -2.4