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

• ChemBase ID: 181869
• Molecular Formular: C15H20N2O
• Molecular Mass: 244.3321
• Monoisotopic Mass: 244.15756327
• SMILES: C12(N(c3c(C1(C)C)cccc3)C)NC(=O)CCC2
• Canonical SMILES: O=C1CCCC2(N1)N(C)c1c(C2(C)C)cccc1
• InChI: InChI=1S/C15H20N2O/c1-14(2)11-7-4-5-8-12(11)17(3)15(14)10-6-9-13(18)16-15/h4-5,7-8H,6,9-10H2,1-3H3,(H,16,18)
• InChIKey: FNUNAZPEIZDMSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3,3-trimethyl-1,3-dihydrospiro[indole-2,2'-piperidine]-6'-one
• IUPAC Traditional name: 1,3,3-trimethylspiro[indole-2,2'-piperidine]-6'-one

Database IDs

• PubChem SID: 164237779
• PubChem CID: 3242250

CALCULATED PROPERTIES

• Acid pKa: 11.72433
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.889069
• LogD (pH = 7.4): 2.8890517
• Log P: 2.8890698
• Molar Refractivity: 72.5114 cm^3
• Polarizability: 27.78943 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds