1-(2-methoxyacetyl)-N-{2-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl}piperidine-3-carboxamide

• ChemBase ID: 401004
• Molecular Formular: C18H23N5O4
• Molecular Mass: 373.40632
• Monoisotopic Mass: 373.17500424
• SMILES: c1(nc(on1)CCNC(=O)C1CN(C(=O)COC)CCC1)c1ncccc1
• Canonical SMILES: COCC(=O)N1CCCC(C1)C(=O)NCCc1onc(n1)c1ccccn1
• InChI: InChI=1S/C18H23N5O4/c1-26-12-16(24)23-10-4-5-13(11-23)18(25)20-9-7-15-21-17(22-27-15)14-6-2-3-8-19-14/h2-3,6,8,13H,4-5,7,9-12H2,1H3,(H,20,25)
• InChIKey: PVZSHBVSOURXPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyacetyl)-N-{2-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl}piperidine-3-carboxamide
• IUPAC Traditional name: 1-(2-methoxyacetyl)-N-{2-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl}piperidine-3-carboxamide
• Synonyms: 1-(methoxyacetyl)-N-{2-[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl}-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.131602
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.32259116
• LogD (pH = 7.4): 0.32259122
• Log P: 0.32259125
• Molar Refractivity: 107.7968 cm^3
• Polarizability: 37.53905 Å^3
• Polar Surface Area: 110.45 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: -0.28
• LOG S: -2.99
• Polar Surface Area: 110.45 Å^2
• Rotatable Bonds: 7