1-{2-methyl-2,8-diazaspiro[4.5]decan-8-yl}-2-(piperazin-1-yl)ethan-1-one

• ChemBase ID: 486016
• Molecular Formular: C15H28N4O
• Molecular Mass: 280.40902
• Monoisotopic Mass: 280.22631154
• SMILES: N1(C(=O)CN2CCNCC2)CCC2(CN(CC2)C)CC1
• Canonical SMILES: CN1CCC2(C1)CCN(CC2)C(=O)CN1CCNCC1
• InChI: InChI=1S/C15H28N4O/c1-17-7-2-15(13-17)3-8-19(9-4-15)14(20)12-18-10-5-16-6-11-18/h16H,2-13H2,1H3
• InChIKey: MDBFZMFYYFEVLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2-methyl-2,8-diazaspiro[4.5]decan-8-yl}-2-(piperazin-1-yl)ethan-1-one
• IUPAC Traditional name: 1-{2-methyl-2,8-diazaspiro[4.5]decan-8-yl}-2-(piperazin-1-yl)ethanone
• Synonyms: 2-methyl-8-(piperazin-1-ylacetyl)-2,8-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -7.2380414
• LogD (pH = 7.4): -4.417377
• Log P: -0.83549124
• Molar Refractivity: 81.3793 cm^3
• Polarizability: 31.958336 Å^3
• Polar Surface Area: 38.82 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.17
• LOG S: -2.42
• Polar Surface Area: 38.82 Å^2
• Rotatable Bonds: 2