methyl N-(1-oxo-1-{2-oxo-1,2-dihydrospiro[indole-3,4'-piperidine]-1'-yl}propan-2-yl)carbamate

• ChemBase ID: 775180
• Molecular Formular: C17H21N3O4
• Molecular Mass: 331.36634
• Monoisotopic Mass: 331.15320617
• SMILES: C12(C(=O)Nc3c1cccc3)CCN(C(=O)C(NC(=O)OC)C)CC2
• Canonical SMILES: COC(=O)NC(C(=O)N1CCC2(CC1)C(=O)Nc1c2cccc1)C
• InChI: InChI=1S/C17H21N3O4/c1-11(18-16(23)24-2)14(21)20-9-7-17(8-10-20)12-5-3-4-6-13(12)19-15(17)22/h3-6,11H,7-10H2,1-2H3,(H,18,23)(H,19,22)
• InChIKey: AVAXQJRRQBHZRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl N-(1-oxo-1-{2-oxo-1,2-dihydrospiro[indole-3,4'-piperidine]-1'-yl}propan-2-yl)carbamate
• IUPAC Traditional name: methyl N-(1-oxo-1-{2-oxo-1H-spiro[indole-3,4'-piperidine]-1'-yl}propan-2-yl)carbamate
• Synonyms: methyl [1-methyl-2-oxo-2-(2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-piperidin]-1'-yl)ethyl]carbamate

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.978068
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.7238209
• LogD (pH = 7.4): 0.7238199
• Log P: 0.7238209
• Molar Refractivity: 88.3775 cm^3
• Polarizability: 33.48796 Å^3
• Polar Surface Area: 87.74 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.52
• LOG S: -2.91
• Polar Surface Area: 87.74 Å^2
• Rotatable Bonds: 3