1,3,3,5-tetramethyl-1,3-dihydrospiro[indole-2,2'-piperidine]-6'-one

• ChemBase ID: 183764
• Molecular Formular: C16H22N2O
• Molecular Mass: 258.35868
• Monoisotopic Mass: 258.17321333
• SMILES: C12(N(c3c(C1(C)C)cc(cc3)C)C)NC(=O)CCC2
• Canonical SMILES: O=C1CCCC2(N1)N(C)c1c(C2(C)C)cc(cc1)C
• InChI: InChI=1S/C16H22N2O/c1-11-7-8-13-12(10-11)15(2,3)16(18(13)4)9-5-6-14(19)17-16/h7-8,10H,5-6,9H2,1-4H3,(H,17,19)
• InChIKey: JHXRNKUXWJWQEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3,3,5-tetramethyl-1,3-dihydrospiro[indole-2,2'-piperidine]-6'-one
• IUPAC Traditional name: 1,3,3,5-tetramethylspiro[indole-2,2'-piperidine]-6'-one

Database IDs

• PubChem SID: 164239674
• PubChem CID: 2729896

CALCULATED PROPERTIES

• Acid pKa: 11.7846365
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.4024901
• LogD (pH = 7.4): 3.4024754
• Log P: 3.4024913
• Molar Refractivity: 77.5526 cm^3
• Polarizability: 29.553896 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds