1-{2,7-diazaspiro[4.5]decan-2-yl}-2-(piperazin-1-yl)ethan-1-one

• ChemBase ID: 793792
• Molecular Formular: C14H26N4O
• Molecular Mass: 266.38244
• Monoisotopic Mass: 266.21066147
• SMILES: N1(C(=O)CN2CCNCC2)CC2(CC1)CNCCC2
• Canonical SMILES: O=C(N1CCC2(C1)CCCNC2)CN1CCNCC1
• InChI: InChI=1S/C14H26N4O/c19-13(10-17-8-5-15-6-9-17)18-7-3-14(12-18)2-1-4-16-11-14/h15-16H,1-12H2
• InChIKey: FITADOHBOMXRPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2,7-diazaspiro[4.5]decan-2-yl}-2-(piperazin-1-yl)ethan-1-one
• IUPAC Traditional name: 1-{2,7-diazaspiro[4.5]decan-2-yl}-2-(piperazin-1-yl)ethanone
• Synonyms: 2-(piperazin-1-ylacetyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -7.3135166
• LogD (pH = 7.4): -5.196815
• Log P: -1.0626317
• Molar Refractivity: 75.9306 cm^3
• Polarizability: 30.116549 Å^3
• Polar Surface Area: 47.61 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.34
• LOG S: -2.74
• Polar Surface Area: 47.61 Å^2
• Rotatable Bonds: 2