7-(oxan-4-yl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 846173
• Molecular Formular: C19H27N3O2
• Molecular Mass: 329.43658
• Monoisotopic Mass: 329.21032712
• SMILES: C1(=O)C2(CN(Cc3cnccc3)CC2)CCCN1C1CCOCC1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)Cc1cccnc1)C1CCOCC1
• InChI: InChI=1S/C19H27N3O2/c23-18-19(6-2-9-22(18)17-4-11-24-12-5-17)7-10-21(15-19)14-16-3-1-8-20-13-16/h1,3,8,13,17H,2,4-7,9-12,14-15H2
• InChIKey: FLOWKPWRJMTIRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(oxan-4-yl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(oxan-4-yl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-(pyridin-3-ylmethyl)-7-(tetrahydro-2H-pyran-4-yl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.6259663
• LogD (pH = 7.4): -1.0668956
• Log P: 0.6100653
• Molar Refractivity: 93.5322 cm^3
• Polarizability: 36.448677 Å^3
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.54
• LOG S: -0.76
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 3