4-(piperidin-1-yl)-1-{[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}piperidine-4-carboxamide

• ChemBase ID: 567302
• Molecular Formular: C19H26N6O2
• Molecular Mass: 370.44874
• Monoisotopic Mass: 370.2117241
• SMILES: n1c(noc1CN1CCC(N2CCCCC2)(C(=O)N)CC1)c1ncccc1
• Canonical SMILES: NC(=O)C1(CCN(CC1)Cc1onc(n1)c1ccccn1)N1CCCCC1
• InChI: InChI=1S/C19H26N6O2/c20-18(26)19(25-10-4-1-5-11-25)7-12-24(13-8-19)14-16-22-17(23-27-16)15-6-2-3-9-21-15/h2-3,6,9H,1,4-5,7-8,10-14H2,(H2,20,26)
• InChIKey: QVKMABPQTWQRBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperidin-1-yl)-1-{[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}piperidine-4-carboxamide
• IUPAC Traditional name: 4-(piperidin-1-yl)-1-{[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}piperidine-4-carboxamide
• Synonyms: 1'-{[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4'-bipiperidine-4'-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.774157
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -2.2430174
• LogD (pH = 7.4): -0.21387419
• Log P: 0.99559045
• Molar Refractivity: 112.9657 cm^3
• Polarizability: 39.739838 Å^3
• Polar Surface Area: 101.38 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 0.3
• LOG S: -0.9
• Polar Surface Area: 101.38 Å^2
• Rotatable Bonds: 5