2-cyclopropyl-8-[2-(4-ethylpiperazin-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 336963
• Molecular Formular: C20H34N4O2
• Molecular Mass: 362.50956
• Monoisotopic Mass: 362.26817635
• SMILES: N1(C(=O)CCC2(C1)CN(C(=O)CN1CCN(CC1)CC)CCC2)C1CC1
• Canonical SMILES: CCN1CCN(CC1)CC(=O)N1CCCC2(C1)CCC(=O)N(C2)C1CC1
• InChI: InChI=1S/C20H34N4O2/c1-2-21-10-12-22(13-11-21)14-19(26)23-9-3-7-20(15-23)8-6-18(25)24(16-20)17-4-5-17/h17H,2-16H2,1H3
• InChIKey: GRZAOCJCGKCXQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropyl-8-[2-(4-ethylpiperazin-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-cyclopropyl-8-[2-(4-ethylpiperazin-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-cyclopropyl-8-[(4-ethylpiperazin-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.3473413
• LogD (pH = 7.4): -0.59804267
• Log P: 0.018505165
• Molar Refractivity: 102.7063 cm^3
• Polarizability: 40.123806 Å^3
• Polar Surface Area: 47.1 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.61
• LOG S: -2.36
• Polar Surface Area: 47.1 Å^2
• Rotatable Bonds: 4