N,1-dimethyl-N-{[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-4-amine

• ChemBase ID: 651445
• Molecular Formular: C14H24N4O2
• Molecular Mass: 280.36596
• Monoisotopic Mass: 280.18992603
• SMILES: n1c(noc1CN(C1CCN(CC1)C)C)C1COCC1
• Canonical SMILES: CN1CCC(CC1)N(Cc1onc(n1)C1COCC1)C
• InChI: InChI=1S/C14H24N4O2/c1-17-6-3-12(4-7-17)18(2)9-13-15-14(16-20-13)11-5-8-19-10-11/h11-12H,3-10H2,1-2H3
• InChIKey: ZJQDHFHXMQGOBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,1-dimethyl-N-{[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-4-amine
• IUPAC Traditional name: N,1-dimethyl-N-{[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-4-amine
• Synonyms: N,1-dimethyl-N-{[3-(tetrahydrofuran-3-yl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -3.1695466
• LogD (pH = 7.4): -1.1563315
• Log P: 0.46811876
• Molar Refractivity: 78.615 cm^3
• Polarizability: 29.761549 Å^3
• Polar Surface Area: 54.63 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.12
• LOG S: -0.34
• Polar Surface Area: 54.63 Å^2
• Rotatable Bonds: 4