1-methyl-4-({5-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-3-yl}methyl)piperazine

• ChemBase ID: 523751
• Molecular Formular: C17H31N5O
• Molecular Mass: 321.46094
• Monoisotopic Mass: 321.25286064
• SMILES: n1c(noc1CC1CCN(CC1)CCC)CN1CCN(CC1)C
• Canonical SMILES: CCCN1CCC(CC1)Cc1onc(n1)CN1CCN(CC1)C
• InChI: InChI=1S/C17H31N5O/c1-3-6-21-7-4-15(5-8-21)13-17-18-16(19-23-17)14-22-11-9-20(2)10-12-22/h15H,3-14H2,1-2H3
• InChIKey: ZVSCRVYWQPSADY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-4-({5-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-3-yl}methyl)piperazine
• IUPAC Traditional name: 1-methyl-4-({5-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-3-yl}methyl)piperazine
• Synonyms: 1-methyl-4-({5-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-3-yl}methyl)piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -3.8535414
• LogD (pH = 7.4): -0.6238249
• Log P: 1.6900319
• Molar Refractivity: 94.7923 cm^3
• Polarizability: 36.100426 Å^3
• Polar Surface Area: 48.64 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.35
• LOG S: -1.69
• Polar Surface Area: 48.64 Å^2
• Rotatable Bonds: 6