N-(2-phenylethyl)-1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide

• ChemBase ID: 591587
• Molecular Formular: C19H26N4O2
• Molecular Mass: 342.43534
• Monoisotopic Mass: 342.20557609
• SMILES: c1(oc(nn1)CCC)N1CCC(C(=O)NCCc2ccccc2)CC1
• Canonical SMILES: CCCc1nnc(o1)N1CCC(CC1)C(=O)NCCc1ccccc1
• InChI: InChI=1S/C19H26N4O2/c1-2-6-17-21-22-19(25-17)23-13-10-16(11-14-23)18(24)20-12-9-15-7-4-3-5-8-15/h3-5,7-8,16H,2,6,9-14H2,1H3,(H,20,24)
• InChIKey: VGDRULFWQKTQII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-phenylethyl)-1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
• IUPAC Traditional name: N-(2-phenylethyl)-1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
• Synonyms: N-(2-phenylethyl)-1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.177756
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.5181265
• LogD (pH = 7.4): 2.518127
• Log P: 2.518127
• Molar Refractivity: 99.0225 cm^3
• Polarizability: 36.833942 Å^3
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.78
• LOG S: -3.22
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 7