7-(2-methoxyethyl)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 744256
• Molecular Formular: C18H32N4O3
• Molecular Mass: 352.47168
• Monoisotopic Mass: 352.2474409
• SMILES: C12(C(=O)N(CCC2)CCOC)CN(CC(=O)N2CCN(CC2)C)CC1
• Canonical SMILES: COCCN1CCCC2(C1=O)CCN(C2)CC(=O)N1CCN(CC1)C
• InChI: InChI=1S/C18H32N4O3/c1-19-8-10-21(11-9-19)16(23)14-20-7-5-18(15-20)4-3-6-22(17(18)24)12-13-25-2/h3-15H2,1-2H3
• InChIKey: AVLKJOMKBICLGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2-methoxyethyl)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(2-methoxyethyl)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(2-methoxyethyl)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -5.0583305
• LogD (pH = 7.4): -2.1696134
• Log P: -0.9393846
• Molar Refractivity: 97.3948 cm^3
• Polarizability: 37.878532 Å^3
• Polar Surface Area: 56.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.11
• LOG S: -3.17
• Polar Surface Area: 56.33 Å^2
• Rotatable Bonds: 5