2-(cyclopentylmethyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 836023
• Molecular Formular: C17H30N2O2
• Molecular Mass: 294.4323
• Monoisotopic Mass: 294.23072821
• SMILES: C12(C(=O)N(CCC2)CCOC)CN(CC2CCCC2)CC1
• Canonical SMILES: COCCN1CCCC2(C1=O)CCN(C2)CC1CCCC1
• InChI: InChI=1S/C17H30N2O2/c1-21-12-11-19-9-4-7-17(16(19)20)8-10-18(14-17)13-15-5-2-3-6-15/h15H,2-14H2,1H3
• InChIKey: HWICEVMJPPEJCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclopentylmethyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-(cyclopentylmethyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-(cyclopentylmethyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.7305785
• LogD (pH = 7.4): -1.4134978
• Log P: 1.7648176
• Molar Refractivity: 84.7885 cm^3
• Polarizability: 33.28011 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.52
• LOG S: -1.27
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 4