5-[3-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]quinoxaline

• ChemBase ID: 596070
• Molecular Formular: C20H20N4O2
• Molecular Mass: 348.3984
• Monoisotopic Mass: 348.1586259
• SMILES: C(=O)(c1c2nccnc2ccc1)N1CC(OCc2cnccc2)CCC1
• Canonical SMILES: O=C(c1cccc2c1nccn2)N1CCCC(C1)OCc1cccnc1
• InChI: InChI=1S/C20H20N4O2/c25-20(17-6-1-7-18-19(17)23-10-9-22-18)24-11-3-5-16(13-24)26-14-15-4-2-8-21-12-15/h1-2,4,6-10,12,16H,3,5,11,13-14H2
• InChIKey: RMAZLMDZRNPETC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[3-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]quinoxaline
• IUPAC Traditional name: 5-[3-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]quinoxaline
• Synonyms: 5-{[3-(3-pyridinylmethoxy)-1-piperidinyl]carbonyl}quinoxaline

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.4623085
• LogD (pH = 7.4): 1.521635
• Log P: 1.5224605
• Molar Refractivity: 97.0326 cm^3
• Polarizability: 38.596947 Å^3
• Polar Surface Area: 68.21 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.58
• LOG S: -1.25
• Polar Surface Area: 68.21 Å^2
• Rotatable Bonds: 4