2-oxo-N-propyl-1,2-dihydrospiro[indole-3,4'-piperidine]-1'-carboxamide

• ChemBase ID: 838032
• Molecular Formular: C16H21N3O2
• Molecular Mass: 287.35684
• Monoisotopic Mass: 287.16337693
• SMILES: C12(C(=O)Nc3c1cccc3)CCN(C(=O)NCCC)CC2
• Canonical SMILES: CCCNC(=O)N1CCC2(CC1)C(=O)Nc1c2cccc1
• InChI: InChI=1S/C16H21N3O2/c1-2-9-17-15(21)19-10-7-16(8-11-19)12-5-3-4-6-13(12)18-14(16)20/h3-6H,2,7-11H2,1H3,(H,17,21)(H,18,20)
• InChIKey: RWFMLQFOZXWRLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-oxo-N-propyl-1,2-dihydrospiro[indole-3,4'-piperidine]-1'-carboxamide
• IUPAC Traditional name: 2-oxo-N-propyl-1H-spiro[indole-3,4'-piperidine]-1'-carboxamide
• Synonyms: 2-oxo-N-propyl-1,2-dihydro-1'H-spiro[indole-3,4'-piperidine]-1'-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.232154
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.4105095
• LogD (pH = 7.4): 1.4105091
• Log P: 1.4105097
• Molar Refractivity: 82.3025 cm^3
• Polarizability: 30.829273 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 2.49
• LOG S: -3.42
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 2