4-[2-(1H-indol-3-yl)acetyl]-N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide

C22H27F3N4O2 — CID 55922858

IUPAC4-[2-(1H-indol-3-yl)acetyl]-N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCN(C(=O)NC2CCCC(C(F)(F)F)C2)CC1
InChIInChI=1S/C22H27F3N4O2/c23-22(24,25)16-4-3-5-17(13-16)27-21(31)29-10-8-28(9-11-29)20(30)12-15-14-26-19-7-2-1-6-18(15)19/h1-2,6-7,14,16-17,26H,3-5,8-13H2,(H,27,31)
InChIKeyRNKAJAKJQWFGJF-UHFFFAOYSA-N
MW436.48 g/mol
LogP3.69
Rot. Bonds3

About 4-[2-(1H-indol-3-yl)acetyl]-N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide

4-[2-(1H-indol-3-yl)acetyl]-N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide (PubChem CID 55922858) has the molecular formula C22H27F3N4O2 and a molecular weight of 436.48 g/mol. Its IUPAC name is 4-[2-(1H-indol-3-yl)acetyl]-N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(1H-indol-3-yl)acetyl]-N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide
PubChem CID55922858
Molecular FormulaC22H27F3N4O2
Molecular Weight436.48 g/mol
Exact Mass436.21
IUPAC Name4-[2-(1H-indol-3-yl)acetyl]-N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCN(C(=O)NC2CCCC(C(F)(F)F)C2)CC1
InChIInChI=1S/C22H27F3N4O2/c23-22(24,25)16-4-3-5-17(13-16)27-21(31)29-10-8-28(9-11-29)20(30)12-15-14-26-19-7-2-1-6-18(15)19/h1-2,6-7,14,16-17,26H,3-5,8-13H2,(H,27,31)
InChIKeyRNKAJAKJQWFGJF-UHFFFAOYSA-N
XLogP3.69
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(1H-indol-3-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]urea
CID 55590613
N-cyclohexyl-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 110412461
2-[(1S,3R)-3-aminocyclohexyl]-1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]ethanone
CID 167807322
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(1H-indol-3-yl)ethanone
CID 110806405
3-(1H-indol-3-yl)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 41037215
1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-[3-(trifluoromethyl)cyclohexyl]guanidine;hydroiodide
CID 111984168
N-[(2-fluorophenyl)methyl]-4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carboxamide
CID 47065618
2-(5-methoxy-1H-indol-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 86985838
N-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 55860352
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
1-[(4S)-4-aminoazepan-1-yl]-2-(1H-indol-3-yl)ethanone
CID 95726890
2-(1H-indol-3-yl)-1-(4-methylazepan-1-yl)ethanone
CID 62047169

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-indol-3-yl)acetyl]-N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide?
The IUPAC name of 4-[2-(1H-indol-3-yl)acetyl]-N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide (CID 55922858) is 4-[2-(1H-indol-3-yl)acetyl]-N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(1H-indol-3-yl)acetyl]-N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(1H-indol-3-yl)acetyl]-N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide is O=C(Cc1c[nH]c2ccccc12)N1CCN(C(=O)NC2CCCC(C(F)(F)F)C2)CC1.
What is the InChIKey of 4-[2-(1H-indol-3-yl)acetyl]-N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide?
The InChIKey is RNKAJAKJQWFGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N4O2/c23-22(24,25)16-4-3-5-17(13-16)27-21(31)29-10-8-28(9-11-29)20(30)12-15-14-26-19-7-2-1-6-18(15)19/h1-2,6-7,14,16-17,26H,3-5,8-13H2,(H,27,31).
What are the key properties of 4-[2-(1H-indol-3-yl)acetyl]-N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide?
4-[2-(1H-indol-3-yl)acetyl]-N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide has a molecular weight of 436.48 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-indol-3-yl)acetyl]-N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide is sourced from PubChem (CID 55922858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).