4-{6-[4-(piperidin-1-yl)piperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl}morpholine

• ChemBase ID: 321551
• Molecular Formular: C18H27N7O2
• Molecular Mass: 373.45268
• Monoisotopic Mass: 373.22262314
• SMILES: n1c2c(nc(c1N1CCOCC1)N1CCC(N3CCCCC3)CC1)non2
• Canonical SMILES: C1CCN(CC1)C1CCN(CC1)c1nc2nonc2nc1N1CCOCC1
• InChI: InChI=1S/C18H27N7O2/c1-2-6-23(7-3-1)14-4-8-24(9-5-14)17-18(25-10-12-26-13-11-25)20-16-15(19-17)21-27-22-16/h14H,1-13H2
• InChIKey: XEJQEIWANROFCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{6-[4-(piperidin-1-yl)piperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl}morpholine
• IUPAC Traditional name: 4-{6-[4-(piperidin-1-yl)piperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl}morpholine
• Synonyms: 1'-[6-(4-morpholinyl)[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]-1,4'-bipiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 8
• H Donor: 0
• LogD (pH = 5.5): -1.7841563
• LogD (pH = 7.4): -0.5009757
• Log P: 1.6016073
• Molar Refractivity: 107.1184 cm^3
• Polarizability: 38.018543 Å^3
• Polar Surface Area: 83.65 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 3.33
• LOG S: -1.43
• Polar Surface Area: 83.65 Å^2
• Rotatable Bonds: 3