N-(5-acetamido-2-fluorophenyl)-4-(pyridin-3-yloxy)piperidine-1-carboxamide

• ChemBase ID: 488458
• Molecular Formular: C19H21FN4O3
• Molecular Mass: 372.3934432
• Monoisotopic Mass: 372.15976877
• SMILES: C(=O)(N1CCC(CC1)Oc1cnccc1)Nc1cc(NC(=O)C)ccc1F
• Canonical SMILES: CC(=O)Nc1ccc(c(c1)NC(=O)N1CCC(CC1)Oc1cccnc1)F
• InChI: InChI=1S/C19H21FN4O3/c1-13(25)22-14-4-5-17(20)18(11-14)23-19(26)24-9-6-15(7-10-24)27-16-3-2-8-21-12-16/h2-5,8,11-12,15H,6-7,9-10H2,1H3,(H,22,25)(H,23,26)
• InChIKey: YRWATBAITUFLNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-acetamido-2-fluorophenyl)-4-(pyridin-3-yloxy)piperidine-1-carboxamide
• IUPAC Traditional name: N-(5-acetamido-2-fluorophenyl)-4-(pyridin-3-yloxy)piperidine-1-carboxamide
• Synonyms: N-[5-(acetylamino)-2-fluorophenyl]-4-(pyridin-3-yloxy)piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.309951
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.0714722
• LogD (pH = 7.4): 1.1387155
• Log P: 1.1397139
• Molar Refractivity: 100.2978 cm^3
• Polarizability: 36.962826 Å^3
• Polar Surface Area: 83.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.75
• LOG S: -3.41
• Polar Surface Area: 83.56 Å^2
• Rotatable Bonds: 4