2-(2-methoxyethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 680939
• Molecular Formular: C18H27N3O2
• Molecular Mass: 317.42588
• Monoisotopic Mass: 317.21032712
• SMILES: N1(C(=O)CCC2(C1)CN(Cc1ccncc1)CCC2)CCOC
• Canonical SMILES: COCCN1CC2(CCCN(C2)Cc2ccncc2)CCC1=O
• InChI: InChI=1S/C18H27N3O2/c1-23-12-11-21-15-18(7-3-17(21)22)6-2-10-20(14-18)13-16-4-8-19-9-5-16/h4-5,8-9H,2-3,6-7,10-15H2,1H3
• InChIKey: CWEZPKGCXYFKGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-(2-methoxyethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-(2-methoxyethyl)-8-(4-pyridinylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.1743772
• LogD (pH = 7.4): -0.4184681
• Log P: 0.6904454
• Molar Refractivity: 90.4954 cm^3
• Polarizability: 35.33492 Å^3
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.6
• LOG S: -0.73
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 5