2-(2-methoxyethyl)-9-[3-(pyridin-2-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 497293
• Molecular Formular: C20H29N3O3
• Molecular Mass: 359.46256
• Monoisotopic Mass: 359.2208918
• SMILES: N1(C(=O)CCC2(C1)CCN(C(=O)CCc1ncccc1)CC2)CCOC
• Canonical SMILES: COCCN1CC2(CCN(CC2)C(=O)CCc2ccccn2)CCC1=O
• InChI: InChI=1S/C20H29N3O3/c1-26-15-14-23-16-20(8-7-19(23)25)9-12-22(13-10-20)18(24)6-5-17-4-2-3-11-21-17/h2-4,11H,5-10,12-16H2,1H3
• InChIKey: SXMQCHFERLKIGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyethyl)-9-[3-(pyridin-2-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-(2-methoxyethyl)-9-[3-(pyridin-2-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-(2-methoxyethyl)-9-(3-pyridin-2-ylpropanoyl)-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.14362398
• LogD (pH = 7.4): 0.18916847
• Log P: 0.18978366
• Molar Refractivity: 99.2071 cm^3
• Polarizability: 38.71467 Å^3
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.67
• LOG S: -1.09
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 6