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

C22H21F3N2O3 — CID 25119794

IUPAC1-methyl-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-one
SMILESCN1C(=O)C2(CCN(C(=O)COc3ccccc3C(F)(F)F)CC2)c2ccccc21
InChIInChI=1S/C22H21F3N2O3/c1-26-17-8-4-2-6-15(17)21(20(26)29)10-12-27(13-11-21)19(28)14-30-18-9-5-3-7-16(18)22(23,24)25/h2-9H,10-14H2,1H3
InChIKeyZFNAAJKMYTUKNF-UHFFFAOYSA-N
MW418.42 g/mol
LogP3.62
Rot. Bonds3

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

1-methyl-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-one (PubChem CID 25119794) has the molecular formula C22H21F3N2O3 and a molecular weight of 418.42 g/mol. Its IUPAC name is 1-methyl-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1-methyl-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-one
PubChem CID25119794
Molecular FormulaC22H21F3N2O3
Molecular Weight418.42 g/mol
Exact Mass418.15
IUPAC Name1-methyl-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-one
SMILESCN1C(=O)C2(CCN(C(=O)COc3ccccc3C(F)(F)F)CC2)c2ccccc21
InChIInChI=1S/C22H21F3N2O3/c1-26-17-8-4-2-6-15(17)21(20(26)29)10-12-27(13-11-21)19(28)14-30-18-9-5-3-7-16(18)22(23,24)25/h2-9H,10-14H2,1H3
InChIKeyZFNAAJKMYTUKNF-UHFFFAOYSA-N
XLogP3.62
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(2,3-Dihydroindol-1-yl)-2-(4-ethylphenoxy)ethanone
CID 833324
2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-oxoethyl (2-methoxyphenyl)acetate
CID 4783124
N-(1-methyl-2-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)-2-phenoxyacetamide
CID 16823178
1-(Phenoxyacetyl)indoline
CID 730643
3-ethyl-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-2-one
CID 11603891
1-Benzyl-3-ethyl-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]indol-2-one
CID 24854269
1-[(4-Methylphenoxy)acetyl]indoline
CID 674915
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CID 2534186
2-(2-Acetyl-4-fluorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 2557592
N-[4-[2-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-2-oxoethoxy]phenyl]-N,2,2-trimethylpropanamide
CID 4047713

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1-methyl-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-one (CID 25119794) is 1-methyl-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1-methyl-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1-methyl-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-one is CN1C(=O)C2(CCN(C(=O)COc3ccccc3C(F)(F)F)CC2)c2ccccc21.
What is the InChIKey of 1-methyl-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is ZFNAAJKMYTUKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2O3/c1-26-17-8-4-2-6-15(17)21(20(26)29)10-12-27(13-11-21)19(28)14-30-18-9-5-3-7-16(18)22(23,24)25/h2-9H,10-14H2,1H3.
What are the key properties of 1-methyl-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-one?
1-methyl-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 418.42 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 25119794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).