1'-(oxolane-2-carbonyl)-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]

• ChemBase ID: 859226
• Molecular Formular: C15H22N4O2
• Molecular Mass: 290.36078
• Monoisotopic Mass: 290.17427596
• SMILES: c12C3(NCCc2[nH]cn1)CCN(C(=O)C1OCCC1)CC3
• Canonical SMILES: O=C(N1CCC2(CC1)NCCc1c2nc[nH]1)C1CCCO1
• InChI: InChI=1S/C15H22N4O2/c20-14(12-2-1-9-21-12)19-7-4-15(5-8-19)13-11(3-6-18-15)16-10-17-13/h10,12,18H,1-9H2,(H,16,17)
• InChIKey: LIFCOAZNYFMNIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1'-(oxolane-2-carbonyl)-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
• IUPAC Traditional name: 1'-(oxolane-2-carbonyl)-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
• Synonyms: 1'-(tetrahydrofuran-2-ylcarbonyl)-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.960203
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.2664876
• LogD (pH = 7.4): -1.7087697
• Log P: -0.8487355
• Molar Refractivity: 78.5379 cm^3
• Polarizability: 30.425245 Å^3
• Polar Surface Area: 70.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -1.27
• LOG S: -1.54
• Polar Surface Area: 70.25 Å^2
• Rotatable Bonds: 1