1'-(1,3-thiazol-2-yl)-1,2-dihydrospiro[indole-3,4'-piperidine]-2-one

• ChemBase ID: 859852
• Molecular Formular: C15H15N3OS
• Molecular Mass: 285.3641
• Monoisotopic Mass: 285.09358312
• SMILES: C12(C(=O)Nc3c1cccc3)CCN(c1nccs1)CC2
• Canonical SMILES: O=C1Nc2c(C31CCN(CC3)c1nccs1)cccc2
• InChI: InChI=1S/C15H15N3OS/c19-13-15(11-3-1-2-4-12(11)17-13)5-8-18(9-6-15)14-16-7-10-20-14/h1-4,7,10H,5-6,8-9H2,(H,17,19)
• InChIKey: XOFMRHZKZRWFKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1'-(1,3-thiazol-2-yl)-1,2-dihydrospiro[indole-3,4'-piperidine]-2-one
• IUPAC Traditional name: 1'-(1,3-thiazol-2-yl)-1H-spiro[indole-3,4'-piperidine]-2-one
• Synonyms: 1'-(1,3-thiazol-2-yl)spiro[indole-3,4'-piperidin]-2(1H)-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.236344
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.6465201
• LogD (pH = 7.4): 2.6482942
• Log P: 2.6483176
• Molar Refractivity: 80.3655 cm^3
• Polarizability: 29.625319 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 1.93
• LOG S: -2.93
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 1