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

• ChemBase ID: 580688
• Molecular Formular: C15H20N2O
• Molecular Mass: 244.3321
• Monoisotopic Mass: 244.15756327
• SMILES: C12(C(=O)Nc3c1cccc3)CN(C(C)C)CCC2
• Canonical SMILES: CC(N1CCCC2(C1)C(=O)Nc1c2cccc1)C
• InChI: InChI=1S/C15H20N2O/c1-11(2)17-9-5-8-15(10-17)12-6-3-4-7-13(12)16-14(15)18/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,16,18)
• InChIKey: CGNDEPSEHZWHFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.1799965
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0344927
• LogD (pH = 7.4): 0.27189818
• Log P: 2.3434448
• Molar Refractivity: 74.1987 cm^3
• Polarizability: 28.16854 Å^3
• Polar Surface Area: 32.34 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: 2.82
• LOG S: -3.39
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1