N-(2,2-difluoroethyl)-4-(quinolin-6-yloxy)piperidine-4-carboxamide

• ChemBase ID: 603096
• Molecular Formular: C17H19F2N3O2
• Molecular Mass: 335.3484664
• Monoisotopic Mass: 335.1445333
• SMILES: C1(C(=O)NCC(F)F)(Oc2cc3c(nccc3)cc2)CCNCC1
• Canonical SMILES: FC(CNC(=O)C1(CCNCC1)Oc1ccc2c(c1)cccn2)F
• InChI: InChI=1S/C17H19F2N3O2/c18-15(19)11-22-16(23)17(5-8-20-9-6-17)24-13-3-4-14-12(10-13)2-1-7-21-14/h1-4,7,10,15,20H,5-6,8-9,11H2,(H,22,23)
• InChIKey: HUYZRWNGYCJJNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,2-difluoroethyl)-4-(quinolin-6-yloxy)piperidine-4-carboxamide
• IUPAC Traditional name: N-(2,2-difluoroethyl)-4-(quinolin-6-yloxy)piperidine-4-carboxamide
• Synonyms: N-(2,2-difluoroethyl)-4-(quinolin-6-yloxy)piperidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.09195
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.0315535
• LogD (pH = 7.4): -0.9690816
• Log P: 1.0207025
• Molar Refractivity: 84.0026 cm^3
• Polarizability: 33.7644 Å^3
• Polar Surface Area: 63.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.17
• LOG S: -2.65
• Polar Surface Area: 63.25 Å^2
• Rotatable Bonds: 4