6-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]quinoxaline

• ChemBase ID: 500308
• Molecular Formular: C20H20N4O2
• Molecular Mass: 348.3984
• Monoisotopic Mass: 348.1586259
• SMILES: C(=O)(N1CCC(CC1)OCc1cnccc1)c1cc2nccnc2cc1
• Canonical SMILES: O=C(c1ccc2c(c1)nccn2)N1CCC(CC1)OCc1cccnc1
• InChI: InChI=1S/C20H20N4O2/c25-20(16-3-4-18-19(12-16)23-9-8-22-18)24-10-5-17(6-11-24)26-14-15-2-1-7-21-13-15/h1-4,7-9,12-13,17H,5-6,10-11,14H2
• InChIKey: JWTGKZXKNXTULK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]quinoxaline
• IUPAC Traditional name: 6-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]quinoxaline
• Synonyms: 6-{[4-(3-pyridinylmethoxy)-1-piperidinyl]carbonyl}quinoxaline

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.0048909
• LogD (pH = 7.4): 1.064232
• Log P: 1.0650576
• Molar Refractivity: 97.2534 cm^3
• Polarizability: 38.592506 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: 0.3
• LOG S: -2.01
• Polar Surface Area: 68.21 Å^2
• Rotatable Bonds: 4