1-(benzyloxy)-8-[2-(pyridin-3-yl)acetyl]-1,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 726433
• Molecular Formular: C22H25N3O3
• Molecular Mass: 379.4522
• Monoisotopic Mass: 379.18959168
• SMILES: N1(C2(CCN(C(=O)Cc3cnccc3)CC2)CCC1=O)OCc1ccccc1
• Canonical SMILES: O=C(N1CCC2(CC1)CCC(=O)N2OCc1ccccc1)Cc1cccnc1
• InChI: InChI=1S/C22H25N3O3/c26-20-8-9-22(25(20)28-17-18-5-2-1-3-6-18)10-13-24(14-11-22)21(27)15-19-7-4-12-23-16-19/h1-7,12,16H,8-11,13-15,17H2
• InChIKey: WTMPARMHOAJPED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(benzyloxy)-8-[2-(pyridin-3-yl)acetyl]-1,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 1-(benzyloxy)-8-[2-(pyridin-3-yl)acetyl]-1,8-diazaspiro[4.5]decan-2-one
• Synonyms: 1-(benzyloxy)-8-(3-pyridinylacetyl)-1,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2327454
• LogD (pH = 7.4): 1.3126326
• Log P: 1.3137794
• Molar Refractivity: 105.2943 cm^3
• Polarizability: 40.928875 Å^3
• Polar Surface Area: 62.74 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: 1.2
• LOG S: -1.69
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 5