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

• ChemBase ID: 461488
• Molecular Formular: C20H18FN3O2
• Molecular Mass: 351.3742232
• Monoisotopic Mass: 351.13830505
• SMILES: C(=O)(N1CCC(Oc2cc(F)ccc2)CC1)c1cc2nccnc2cc1
• Canonical SMILES: Fc1cccc(c1)OC1CCN(CC1)C(=O)c1ccc2c(c1)nccn2
• InChI: InChI=1S/C20H18FN3O2/c21-15-2-1-3-17(13-15)26-16-6-10-24(11-7-16)20(25)14-4-5-18-19(12-14)23-9-8-22-18/h1-5,8-9,12-13,16H,6-7,10-11H2
• InChIKey: VSHDMAFVWAPXSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.3919663
• LogD (pH = 7.4): 2.3919837
• Log P: 2.391984
• Molar Refractivity: 94.5228 cm^3
• Polarizability: 37.29019 Å^3
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.86
• LOG S: -3.35
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 3