2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N,N-bis(prop-2-en-1-yl)acetamide

• ChemBase ID: 662244
• Molecular Formular: C16H24N4O2
• Molecular Mass: 304.38736
• Monoisotopic Mass: 304.18992603
• SMILES: c1(nc(no1)C)C1N(CC(=O)N(CC=C)CC=C)CCCC1
• Canonical SMILES: C=CCN(C(=O)CN1CCCCC1c1onc(n1)C)CC=C
• InChI: InChI=1S/C16H24N4O2/c1-4-9-19(10-5-2)15(21)12-20-11-7-6-8-14(20)16-17-13(3)18-22-16/h4-5,14H,1-2,6-12H2,3H3
• InChIKey: NMTYXMHFAFCSAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N,N-bis(prop-2-en-1-yl)acetamide
• IUPAC Traditional name: 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N,N-bis(prop-2-en-1-yl)acetamide
• Synonyms: N,N-diallyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.3745986
• LogD (pH = 7.4): 2.0197978
• Log P: 2.0391634
• Molar Refractivity: 87.0811 cm^3
• Polarizability: 32.670097 Å^3
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.96
• LOG S: -3.09
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 7