1'-(pyrazine-2-carbonyl)-1,2-dihydrospiro[indole-3,3'-piperidine]-2-one

• ChemBase ID: 666056
• Molecular Formular: C17H16N4O2
• Molecular Mass: 308.33454
• Monoisotopic Mass: 308.12732577
• SMILES: C12(C(=O)Nc3c1cccc3)CN(C(=O)c1nccnc1)CCC2
• Canonical SMILES: O=C1Nc2c(C31CCCN(C3)C(=O)c1cnccn1)cccc2
• InChI: InChI=1S/C17H16N4O2/c22-15(14-10-18-7-8-19-14)21-9-3-6-17(11-21)12-4-1-2-5-13(12)20-16(17)23/h1-2,4-5,7-8,10H,3,6,9,11H2,(H,20,23)
• InChIKey: PTMNWTBVPWFYKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1'-(pyrazine-2-carbonyl)-1,2-dihydrospiro[indole-3,3'-piperidine]-2-one
• IUPAC Traditional name: 1'-(pyrazine-2-carbonyl)-1H-spiro[indole-3,3'-piperidine]-2-one
• Synonyms: 1'-(pyrazin-2-ylcarbonyl)spiro[indole-3,3'-piperidin]-2(1H)-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.179126
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.60163593
• LogD (pH = 7.4): 0.60163546
• Log P: 0.6016362
• Molar Refractivity: 85.2872 cm^3
• Polarizability: 31.775528 Å^3
• Polar Surface Area: 75.19 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.57
• LOG S: -1.94
• Polar Surface Area: 75.19 Å^2
• Rotatable Bonds: 1