2-[3-(piperidine-1-carbonyl)pyrazine-2-carbonyl]-2,7-diazaspiro[4.5]decane

• ChemBase ID: 820923
• Molecular Formular: C19H27N5O2
• Molecular Mass: 357.44998
• Monoisotopic Mass: 357.21647513
• SMILES: c1(c(C(=O)N2CCCCC2)nccn1)C(=O)N1CC2(CC1)CNCCC2
• Canonical SMILES: O=C(c1nccnc1C(=O)N1CCC2(C1)CCCNC2)N1CCCCC1
• InChI: InChI=1S/C19H27N5O2/c25-17(23-10-2-1-3-11-23)15-16(22-9-8-21-15)18(26)24-12-6-19(14-24)5-4-7-20-13-19/h8-9,20H,1-7,10-14H2
• InChIKey: YVQRBCOKZVEGRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(piperidine-1-carbonyl)pyrazine-2-carbonyl]-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-[3-(piperidine-1-carbonyl)pyrazine-2-carbonyl]-2,7-diazaspiro[4.5]decane
• Synonyms: 2-{[3-(piperidin-1-ylcarbonyl)pyrazin-2-yl]carbonyl}-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -3.303677
• LogD (pH = 7.4): -2.6888776
• Log P: -0.07931304
• Molar Refractivity: 98.3727 cm^3
• Polarizability: 37.52874 Å^3
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.99
• LOG S: -2.27
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 2