propyl 1-methyl-2-oxo-1,2-dihydrospiro[indole-3,3'-piperidine]-1'-carboxylate

• ChemBase ID: 670123
• Molecular Formular: C17H22N2O3
• Molecular Mass: 302.36818
• Monoisotopic Mass: 302.16304257
• SMILES: C12(C(=O)N(c3c1cccc3)C)CN(C(=O)OCCC)CCC2
• Canonical SMILES: CCCOC(=O)N1CCCC2(C1)c1ccccc1N(C2=O)C
• InChI: InChI=1S/C17H22N2O3/c1-3-11-22-16(21)19-10-6-9-17(12-19)13-7-4-5-8-14(13)18(2)15(17)20/h4-5,7-8H,3,6,9-12H2,1-2H3
• InChIKey: WCRLRLWSMMPPRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propyl 1-methyl-2-oxo-1,2-dihydrospiro[indole-3,3'-piperidine]-1'-carboxylate
• IUPAC Traditional name: propyl 1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-carboxylate
• Synonyms: propyl 1-methyl-2-oxo-1,2-dihydro-1'H-spiro[indole-3,3'-piperidine]-1'-carboxylate

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 2.7
• LOG S: -3.71
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 3
• H Acceptors: 3
• H Donor: 0

JChem

• Molar Refractivity: 83.3146 cm^3
• Polarizability: 32.230267 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.159644
• LogD (pH = 7.4): 2.159644
• Log P: 2.159644