N,2,2,6,6-pentamethyl-N-{[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-4-amine

• ChemBase ID: 482985
• Molecular Formular: C17H26N6O
• Molecular Mass: 330.42794
• Monoisotopic Mass: 330.21680948
• SMILES: c1(nc(on1)CN(C1CC(NC(C1)(C)C)(C)C)C)c1nccnc1
• Canonical SMILES: CN(C1CC(C)(C)NC(C1)(C)C)Cc1onc(n1)c1nccnc1
• InChI: InChI=1S/C17H26N6O/c1-16(2)8-12(9-17(3,4)22-16)23(5)11-14-20-15(21-24-14)13-10-18-6-7-19-13/h6-7,10,12,22H,8-9,11H2,1-5H3
• InChIKey: VCTBUGINHKLGSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2,2,6,6-pentamethyl-N-{[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-4-amine
• IUPAC Traditional name: N,2,2,6,6-pentamethyl-N-{[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-4-amine
• Synonyms: N,2,2,6,6-pentamethyl-N-{[3-(2-pyrazinyl)-1,2,4-oxadiazol-5-yl]methyl}-4-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -3.5061638
• LogD (pH = 7.4): -2.101575
• Log P: 0.92399925
• Molar Refractivity: 103.5395 cm^3
• Polarizability: 36.52213 Å^3
• Polar Surface Area: 79.97 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 0.95
• LOG S: -1.62
• Polar Surface Area: 79.97 Å^2
• Rotatable Bonds: 4