4-[4-[6-(trifluoromethoxy)-1H-indole-2-carbonyl]piperazin-1-yl]benzamide

C21H19F3N4O3 — CID 86969214

IUPAC4-[4-[6-(trifluoromethoxy)-1H-indole-2-carbonyl]piperazin-1-yl]benzamide
SMILESNC(=O)c1ccc(N2CCN(C(=O)c3cc4ccc(OC(F)(F)F)cc4[nH]3)CC2)cc1
InChIInChI=1S/C21H19F3N4O3/c22-21(23,24)31-16-6-3-14-11-18(26-17(14)12-16)20(30)28-9-7-27(8-10-28)15-4-1-13(2-5-15)19(25)29/h1-6,11-12,26H,7-10H2,(H2,25,29)
InChIKeyWBXMZVOXGABOLG-UHFFFAOYSA-N
MW432.40 g/mol
LogP3.13
Rot. Bonds4

About 4-[4-[6-(trifluoromethoxy)-1H-indole-2-carbonyl]piperazin-1-yl]benzamide

4-[4-[6-(trifluoromethoxy)-1H-indole-2-carbonyl]piperazin-1-yl]benzamide (PubChem CID 86969214) has the molecular formula C21H19F3N4O3 and a molecular weight of 432.40 g/mol. Its IUPAC name is 4-[4-[6-(trifluoromethoxy)-1H-indole-2-carbonyl]piperazin-1-yl]benzamide.

Molecular Properties

Compound Name4-[4-[6-(trifluoromethoxy)-1H-indole-2-carbonyl]piperazin-1-yl]benzamide
PubChem CID86969214
Molecular FormulaC21H19F3N4O3
Molecular Weight432.40 g/mol
Exact Mass432.14
IUPAC Name4-[4-[6-(trifluoromethoxy)-1H-indole-2-carbonyl]piperazin-1-yl]benzamide
SMILESNC(=O)c1ccc(N2CCN(C(=O)c3cc4ccc(OC(F)(F)F)cc4[nH]3)CC2)cc1
InChIInChI=1S/C21H19F3N4O3/c22-21(23,24)31-16-6-3-14-11-18(26-17(14)12-16)20(30)28-9-7-27(8-10-28)15-4-1-13(2-5-15)19(25)29/h1-6,11-12,26H,7-10H2,(H2,25,29)
InChIKeyWBXMZVOXGABOLG-UHFFFAOYSA-N
XLogP3.13
TPSA91.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.40
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-[6-(trifluoromethoxy)-1H-indol-2-yl]methanone
CID 86821428
(6-methoxy-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 4909282
[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-[6-(trifluoromethoxy)-1H-indol-2-yl]methanone
CID 86958970
4-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide
CID 86969119
[4-(oxan-4-yloxy)piperidin-1-yl]-[6-(trifluoromethoxy)-1H-indol-2-yl]methanone
CID 99809959
[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methyl-1H-indol-2-yl)methanone
CID 113207332
3-fluoro-1-[6-(trifluoromethoxy)-1H-indole-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 119258701
2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-1H-indole-5-carboxamide
CID 71116278
[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 87029924
(3,4-dimethoxyphenyl)-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 38486486
2H-benzotriazol-5-yl-[(1S,2S,6S,8S)-10-[6-(trifluoromethoxy)-1H-indole-2-carbonyl]-7,12,13-trioxa-4,10-diazatricyclo[6.3.1.12,6]tridecan-4-yl]methanone
CID 163598708
N-[(3R)-1-[6-(trifluoromethoxy)-1H-indole-2-carbonyl]piperidin-3-yl]prop-2-enamide
CID 166424560

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(trifluoromethoxy)-1H-indole-2-carbonyl]piperazin-1-yl]benzamide?
The IUPAC name of 4-[4-[6-(trifluoromethoxy)-1H-indole-2-carbonyl]piperazin-1-yl]benzamide (CID 86969214) is 4-[4-[6-(trifluoromethoxy)-1H-indole-2-carbonyl]piperazin-1-yl]benzamide.
What is the SMILES notation for 4-[4-[6-(trifluoromethoxy)-1H-indole-2-carbonyl]piperazin-1-yl]benzamide?
The canonical SMILES for 4-[4-[6-(trifluoromethoxy)-1H-indole-2-carbonyl]piperazin-1-yl]benzamide is NC(=O)c1ccc(N2CCN(C(=O)c3cc4ccc(OC(F)(F)F)cc4[nH]3)CC2)cc1.
What is the InChIKey of 4-[4-[6-(trifluoromethoxy)-1H-indole-2-carbonyl]piperazin-1-yl]benzamide?
The InChIKey is WBXMZVOXGABOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O3/c22-21(23,24)31-16-6-3-14-11-18(26-17(14)12-16)20(30)28-9-7-27(8-10-28)15-4-1-13(2-5-15)19(25)29/h1-6,11-12,26H,7-10H2,(H2,25,29).
What are the key properties of 4-[4-[6-(trifluoromethoxy)-1H-indole-2-carbonyl]piperazin-1-yl]benzamide?
4-[4-[6-(trifluoromethoxy)-1H-indole-2-carbonyl]piperazin-1-yl]benzamide has a molecular weight of 432.40 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(trifluoromethoxy)-1H-indole-2-carbonyl]piperazin-1-yl]benzamide is sourced from PubChem (CID 86969214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).