1-[4-(6-fluoro-1H-indol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone

C43H48F7N9O4S — CID 159067168

IUPAC1-[4-(6-fluoro-1H-indol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(C(F)(F)F)cc3[nH]ccc23)CC1.CC(=O)N1CCN(c2cc(F)cc3[nH]ccc23)CC1.CS(=O)(=O)N1CCN(c2cc(C(F)(F)F)cc3[nH]ccc23)CC1
InChIInChI=1S/C15H16F3N3O.C14H16F3N3O2S.C14H16FN3O/c1-10(22)20-4-6-21(7-5-20)14-9-11(15(16,17)18)8-13-12(14)2-3-19-13;1-23(21,22)20-6-4-19(5-7-20)13-9-10(14(15,16)17)8-12-11(13)2-3-18-12;1-10(19)17-4-6-18(7-5-17)14-9-11(15)8-13-12(14)2-3-16-13/h2-3,8-9,19H,4-7H2,1H3;2-3,8-9,18H,4-7H2,1H3;2-3,8-9,16H,4-7H2,1H3
InChIKeyJZEWWXZTJGFDGY-UHFFFAOYSA-N
MW919.97 g/mol
LogP7.10
Rot. Bonds4

About 1-[4-(6-fluoro-1H-indol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone

1-[4-(6-fluoro-1H-indol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone (PubChem CID 159067168) has the molecular formula C43H48F7N9O4S and a molecular weight of 919.97 g/mol. Its IUPAC name is 1-[4-(6-fluoro-1H-indol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(6-fluoro-1H-indol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone
PubChem CID159067168
Molecular FormulaC43H48F7N9O4S
Molecular Weight919.97 g/mol
Exact Mass919.34
IUPAC Name1-[4-(6-fluoro-1H-indol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(C(F)(F)F)cc3[nH]ccc23)CC1.CC(=O)N1CCN(c2cc(F)cc3[nH]ccc23)CC1.CS(=O)(=O)N1CCN(c2cc(C(F)(F)F)cc3[nH]ccc23)CC1
InChIInChI=1S/C15H16F3N3O.C14H16F3N3O2S.C14H16FN3O/c1-10(22)20-4-6-21(7-5-20)14-9-11(15(16,17)18)8-13-12(14)2-3-19-13;1-23(21,22)20-6-4-19(5-7-20)13-9-10(14(15,16)17)8-12-11(13)2-3-18-12;1-10(19)17-4-6-18(7-5-17)14-9-11(15)8-13-12(14)2-3-16-13/h2-3,8-9,19H,4-7H2,1H3;2-3,8-9,18H,4-7H2,1H3;2-3,8-9,16H,4-7H2,1H3
InChIKeyJZEWWXZTJGFDGY-UHFFFAOYSA-N
XLogP7.10
TPSA135.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.97
LogP ≤ 57.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[4-(6-fluoro-1H-indol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-fluoro-1H-indol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(6-fluoro-1H-indol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone (CID 159067168) is 1-[4-(6-fluoro-1H-indol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(6-fluoro-1H-indol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(6-fluoro-1H-indol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(C(F)(F)F)cc3[nH]ccc23)CC1.CC(=O)N1CCN(c2cc(F)cc3[nH]ccc23)CC1.CS(=O)(=O)N1CCN(c2cc(C(F)(F)F)cc3[nH]ccc23)CC1.
What is the InChIKey of 1-[4-(6-fluoro-1H-indol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone?
The InChIKey is JZEWWXZTJGFDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O.C14H16F3N3O2S.C14H16FN3O/c1-10(22)20-4-6-21(7-5-20)14-9-11(15(16,17)18)8-13-12(14)2-3-19-13;1-23(21,22)20-6-4-19(5-7-20)13-9-10(14(15,16)17)8-12-11(13)2-3-18-12;1-10(19)17-4-6-18(7-5-17)14-9-11(15)8-13-12(14)2-3-16-13/h2-3,8-9,19H,4-7H2,1H3;2-3,8-9,18H,4-7H2,1H3;2-3,8-9,16H,4-7H2,1H3.
What are the key properties of 1-[4-(6-fluoro-1H-indol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone?
1-[4-(6-fluoro-1H-indol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone has a molecular weight of 919.97 g/mol, XLogP of 7.10, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-fluoro-1H-indol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 159067168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).