1-{[5-(oxan-2-yl)furan-2-yl]methyl}-8-(pyridin-2-yl)-1,8-diazaspiro[4.5]decane

• ChemBase ID: 487264
• Molecular Formular: C23H31N3O2
• Molecular Mass: 381.51114
• Monoisotopic Mass: 381.24162725
• SMILES: N1(C2(CCN(c3ncccc3)CC2)CCC1)Cc1oc(cc1)C1OCCCC1
• Canonical SMILES: C1CCC(OC1)c1ccc(o1)CN1CCCC21CCN(CC2)c1ccccn1
• InChI: InChI=1S/C23H31N3O2/c1-3-13-24-22(7-1)25-15-11-23(12-16-25)10-5-14-26(23)18-19-8-9-21(28-19)20-6-2-4-17-27-20/h1,3,7-9,13,20H,2,4-6,10-12,14-18H2
• InChIKey: JIPAPGYFJHAABU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[5-(oxan-2-yl)furan-2-yl]methyl}-8-(pyridin-2-yl)-1,8-diazaspiro[4.5]decane
• IUPAC Traditional name: 1-{[5-(oxan-2-yl)furan-2-yl]methyl}-8-(pyridin-2-yl)-1,8-diazaspiro[4.5]decane
• Synonyms: 8-(2-pyridinyl)-1-{[5-(tetrahydro-2H-pyran-2-yl)-2-furyl]methyl}-1,8-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.55692244
• LogD (pH = 7.4): 1.7541864
• Log P: 3.3050778
• Molar Refractivity: 111.7852 cm^3
• Polarizability: 42.833763 Å^3
• Polar Surface Area: 41.74 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.01
• LOG S: -3.54
• Polar Surface Area: 41.74 Å^2
• Rotatable Bonds: 4