4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(pyridin-3-yloxy)phenyl]piperidine-1-carboxamide

• ChemBase ID: 413213
• Molecular Formular: C20H21N5O3
• Molecular Mass: 379.41244
• Monoisotopic Mass: 379.16443956
• SMILES: n1c(noc1C)C1CCN(C(=O)Nc2c(Oc3cnccc3)cccc2)CC1
• Canonical SMILES: O=C(N1CCC(CC1)c1noc(n1)C)Nc1ccccc1Oc1cccnc1
• InChI: InChI=1S/C20H21N5O3/c1-14-22-19(24-28-14)15-8-11-25(12-9-15)20(26)23-17-6-2-3-7-18(17)27-16-5-4-10-21-13-16/h2-7,10,13,15H,8-9,11-12H2,1H3,(H,23,26)
• InChIKey: INKAGIJOGACAMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(pyridin-3-yloxy)phenyl]piperidine-1-carboxamide
• IUPAC Traditional name: 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(pyridin-3-yloxy)phenyl]piperidine-1-carboxamide
• Synonyms: 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(pyridin-3-yloxy)phenyl]piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.760487
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.4373713
• LogD (pH = 7.4): 2.4835563
• Log P: 2.4842043
• Molar Refractivity: 104.9524 cm^3
• Polarizability: 38.910458 Å^3
• Polar Surface Area: 93.38 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.86
• LOG S: -3.56
• Polar Surface Area: 93.38 Å^2
• Rotatable Bonds: 4