1-[2-[2-(trifluoromethyl)phenyl]acetyl]spiro[indole-3,4'-piperidine]-2-one

C21H19F3N2O2 — CID 68788369

IUPAC1-[2-[2-(trifluoromethyl)phenyl]acetyl]spiro[indole-3,4'-piperidine]-2-one
SMILESO=C(Cc1ccccc1C(F)(F)F)N1C(=O)C2(CCNCC2)c2ccccc21
InChIInChI=1S/C21H19F3N2O2/c22-21(23,24)15-6-2-1-5-14(15)13-18(27)26-17-8-4-3-7-16(17)20(19(26)28)9-11-25-12-10-20/h1-8,25H,9-13H2
InChIKeyRKUNGXBZIHIRQX-UHFFFAOYSA-N
MW388.39 g/mol
LogP3.44
Rot. Bonds2

About 1-[2-[2-(trifluoromethyl)phenyl]acetyl]spiro[indole-3,4'-piperidine]-2-one

1-[2-[2-(trifluoromethyl)phenyl]acetyl]spiro[indole-3,4'-piperidine]-2-one (PubChem CID 68788369) has the molecular formula C21H19F3N2O2 and a molecular weight of 388.39 g/mol. Its IUPAC name is 1-[2-[2-(trifluoromethyl)phenyl]acetyl]spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1-[2-[2-(trifluoromethyl)phenyl]acetyl]spiro[indole-3,4'-piperidine]-2-one
PubChem CID68788369
Molecular FormulaC21H19F3N2O2
Molecular Weight388.39 g/mol
Exact Mass388.14
IUPAC Name1-[2-[2-(trifluoromethyl)phenyl]acetyl]spiro[indole-3,4'-piperidine]-2-one
SMILESO=C(Cc1ccccc1C(F)(F)F)N1C(=O)C2(CCNCC2)c2ccccc21
InChIInChI=1S/C21H19F3N2O2/c22-21(23,24)15-6-2-1-5-14(15)13-18(27)26-17-8-4-3-7-16(17)20(19(26)28)9-11-25-12-10-20/h1-8,25H,9-13H2
InChIKeyRKUNGXBZIHIRQX-UHFFFAOYSA-N
XLogP3.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-[2-(trifluoromethyl)phenyl]acetyl]spiro[indole-3,4'-piperidine]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-oxospiro[indole-3,4'-piperidine]-1-carboxylate
CID 69184428
1-(4-methylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
CID 22248330
1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one
CID 147971308
1-(3-methyl-1H-indene-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 69089848
1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one
CID 69193884
3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119944209
4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119705514
5-amino-1-methyl-1'-[3-[2-(trifluoromethyl)phenyl]propanoyl]spiro[indole-3,4'-piperidine]-2-one
CID 89148806
1-ethylspiro[indole-3,3'-pyrrolidine]-2-one
CID 121199787
4-fluoro-4-[2-(trifluoromethyl)phenyl]piperidine
CID 91662828
1-(6-methoxy-1H-indole-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 68815259
1'-(3,3,3-trifluoropropyl)spiro[cyclopropane-1,3'-indole]-2'-one
CID 157033735

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(trifluoromethyl)phenyl]acetyl]spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1-[2-[2-(trifluoromethyl)phenyl]acetyl]spiro[indole-3,4'-piperidine]-2-one (CID 68788369) is 1-[2-[2-(trifluoromethyl)phenyl]acetyl]spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1-[2-[2-(trifluoromethyl)phenyl]acetyl]spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1-[2-[2-(trifluoromethyl)phenyl]acetyl]spiro[indole-3,4'-piperidine]-2-one is O=C(Cc1ccccc1C(F)(F)F)N1C(=O)C2(CCNCC2)c2ccccc21.
What is the InChIKey of 1-[2-[2-(trifluoromethyl)phenyl]acetyl]spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is RKUNGXBZIHIRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O2/c22-21(23,24)15-6-2-1-5-14(15)13-18(27)26-17-8-4-3-7-16(17)20(19(26)28)9-11-25-12-10-20/h1-8,25H,9-13H2.
What are the key properties of 1-[2-[2-(trifluoromethyl)phenyl]acetyl]spiro[indole-3,4'-piperidine]-2-one?
1-[2-[2-(trifluoromethyl)phenyl]acetyl]spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 388.39 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(trifluoromethyl)phenyl]acetyl]spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 68788369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).