9-[6-(piperidine-1-carbonyl)pyrazin-2-yl]-3,9-diazaspiro[5.6]dodecane

• ChemBase ID: 860802
• Molecular Formular: C20H31N5O
• Molecular Mass: 357.49304
• Monoisotopic Mass: 357.25286064
• SMILES: c1(nc(N2CCC3(CCC2)CCNCC3)cnc1)C(=O)N1CCCCC1
• Canonical SMILES: O=C(c1cncc(n1)N1CCCC2(CC1)CCNCC2)N1CCCCC1
• InChI: InChI=1S/C20H31N5O/c26-19(25-11-2-1-3-12-25)17-15-22-16-18(23-17)24-13-4-5-20(8-14-24)6-9-21-10-7-20/h15-16,21H,1-14H2
• InChIKey: CVDKCKJEGOBISO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-[6-(piperidine-1-carbonyl)pyrazin-2-yl]-3,9-diazaspiro[5.6]dodecane
• IUPAC Traditional name: 9-[6-(piperidine-1-carbonyl)pyrazin-2-yl]-3,9-diazaspiro[5.6]dodecane
• Synonyms: 9-[6-(piperidin-1-ylcarbonyl)pyrazin-2-yl]-3,9-diazaspiro[5.6]dodecane

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.7142781
• LogD (pH = 7.4): -1.2411216
• Log P: 1.516668
• Molar Refractivity: 104.125 cm^3
• Polarizability: 39.481243 Å^3
• Polar Surface Area: 61.36 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: 1.93
• LOG S: -3.46
• Polar Surface Area: 61.36 Å^2
• Rotatable Bonds: 2