N3-{2-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl}piperidine-1,3-dicarboxamide

• ChemBase ID: 566782
• Molecular Formular: C14H23N5O3
• Molecular Mass: 309.36412
• Monoisotopic Mass: 309.18008962
• SMILES: n1c(noc1CCNC(=O)C1CN(C(=O)N)CCC1)C(C)C
• Canonical SMILES: O=C(C1CCCN(C1)C(=O)N)NCCc1onc(n1)C(C)C
• InChI: InChI=1S/C14H23N5O3/c1-9(2)12-17-11(22-18-12)5-6-16-13(20)10-4-3-7-19(8-10)14(15)21/h9-10H,3-8H2,1-2H3,(H2,15,21)(H,16,20)
• InChIKey: ZUFINNLMTOPGQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N3-{2-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl}piperidine-1,3-dicarboxamide
• IUPAC Traditional name: N3-[2-(3-isopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1,3-dicarboxamide
• Synonyms: N~3~-[2-(3-isopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-piperidinedicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.85339
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.4706149
• LogD (pH = 7.4): 0.47061503
• Log P: 0.47061503
• Molar Refractivity: 80.9637 cm^3
• Polarizability: 30.395088 Å^3
• Polar Surface Area: 114.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -1.5
• LOG S: -1.49
• Polar Surface Area: 114.35 Å^2
• Rotatable Bonds: 5