1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3H-indol-2-one

C21H22F3N3O — CID 10157148

IUPAC1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H22F3N3O/c22-21(23,24)17-5-3-6-18(15-17)26-11-8-25(9-12-26)10-13-27-19-7-2-1-4-16(19)14-20(27)28/h1-7,15H,8-14H2
InChIKeyXELDSRWKMDRNDV-UHFFFAOYSA-N
MW389.42 g/mol
LogP3.42
Rot. Bonds4

About 1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3H-indol-2-one

1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3H-indol-2-one (PubChem CID 10157148) has the molecular formula C21H22F3N3O and a molecular weight of 389.42 g/mol. Its IUPAC name is 1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3H-indol-2-one
PubChem CID10157148
Molecular FormulaC21H22F3N3O
Molecular Weight389.42 g/mol
Exact Mass389.17
IUPAC Name1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H22F3N3O/c22-21(23,24)17-5-3-6-18(15-17)26-11-8-25(9-12-26)10-13-27-19-7-2-1-4-16(19)14-20(27)28/h1-7,15H,8-14H2
InChIKeyXELDSRWKMDRNDV-UHFFFAOYSA-N
XLogP3.42
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 8547900
1-[[3-(trifluoromethyl)phenyl]methyl]-3H-indol-2-one
CID 141283536
1-(2-bromoethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 61287958
1-(1,3-dihydroisoindol-2-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]hexan-1-one
CID 11532392
3-(2-methylphenyl)-1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 42631197
1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 76852194
butanedioic acid;3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-benzimidazol-2-one
CID 67438820
4-methyl-3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-imidazol-2-one
CID 143125296
1-hexyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3317565
4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-ol;hydrochloride
CID 71757707
1-[3-(trifluoromethyl)phenyl]-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxymethyl]piperazine
CID 3051828
2-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
CID 61075067

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3H-indol-2-one?
The IUPAC name of 1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3H-indol-2-one (CID 10157148) is 1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3H-indol-2-one.
What is the SMILES notation for 1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3H-indol-2-one?
The canonical SMILES for 1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3H-indol-2-one is O=C1Cc2ccccc2N1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3H-indol-2-one?
The InChIKey is XELDSRWKMDRNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3O/c22-21(23,24)17-5-3-6-18(15-17)26-11-8-25(9-12-26)10-13-27-19-7-2-1-4-16(19)14-20(27)28/h1-7,15H,8-14H2.
What are the key properties of 1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3H-indol-2-one?
1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3H-indol-2-one has a molecular weight of 389.42 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3H-indol-2-one is sourced from PubChem (CID 10157148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).