4-[2-(2-ethylanilino)-2-oxoethyl]-N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide

C22H31F3N4O2 — CID 55590102

IUPAC4-[2-(2-ethylanilino)-2-oxoethyl]-N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)NC2CCCC(C(F)(F)F)C2)CC1
InChIInChI=1S/C22H31F3N4O2/c1-2-16-6-3-4-9-19(16)27-20(30)15-28-10-12-29(13-11-28)21(31)26-18-8-5-7-17(14-18)22(23,24)25/h3-4,6,9,17-18H,2,5,7-8,10-15H2,1H3,(H,26,31)(H,27,30)
InChIKeyVROPIKSIYKMXMY-UHFFFAOYSA-N
MW440.51 g/mol
LogP3.64
Rot. Bonds5

About 4-[2-(2-ethylanilino)-2-oxoethyl]-N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide

4-[2-(2-ethylanilino)-2-oxoethyl]-N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide (PubChem CID 55590102) has the molecular formula C22H31F3N4O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is 4-[2-(2-ethylanilino)-2-oxoethyl]-N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(2-ethylanilino)-2-oxoethyl]-N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide
PubChem CID55590102
Molecular FormulaC22H31F3N4O2
Molecular Weight440.51 g/mol
Exact Mass440.24
IUPAC Name4-[2-(2-ethylanilino)-2-oxoethyl]-N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)NC2CCCC(C(F)(F)F)C2)CC1
InChIInChI=1S/C22H31F3N4O2/c1-2-16-6-3-4-9-19(16)27-20(30)15-28-10-12-29(13-11-28)21(31)26-18-8-5-7-17(14-18)22(23,24)25/h3-4,6,9,17-18H,2,5,7-8,10-15H2,1H3,(H,26,31)(H,27,30)
InChIKeyVROPIKSIYKMXMY-UHFFFAOYSA-N
XLogP3.64
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2-ethylanilino)-2-oxoethyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide
CID 42954695
2-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 39762859
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide
CID 32813152
2-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 9022433
2-[4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 27851906
N-(2-ethylphenyl)-2-[4-[2-[2-(trifluoromethyl)phenoxy]acetyl]piperazin-1-yl]acetamide
CID 39015022
2-[4-[2-[cyclohexyl(2-hydroxyethyl)amino]acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 78825795
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502
4-phenylmethoxy-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide
CID 86927593
2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 30969143
2-(4-aminopiperidin-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 79322864
N-(2-ethylphenyl)-2-[4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide
CID 55410792

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-ethylanilino)-2-oxoethyl]-N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide?
The IUPAC name of 4-[2-(2-ethylanilino)-2-oxoethyl]-N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide (CID 55590102) is 4-[2-(2-ethylanilino)-2-oxoethyl]-N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(2-ethylanilino)-2-oxoethyl]-N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(2-ethylanilino)-2-oxoethyl]-N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide is CCc1ccccc1NC(=O)CN1CCN(C(=O)NC2CCCC(C(F)(F)F)C2)CC1.
What is the InChIKey of 4-[2-(2-ethylanilino)-2-oxoethyl]-N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide?
The InChIKey is VROPIKSIYKMXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31F3N4O2/c1-2-16-6-3-4-9-19(16)27-20(30)15-28-10-12-29(13-11-28)21(31)26-18-8-5-7-17(14-18)22(23,24)25/h3-4,6,9,17-18H,2,5,7-8,10-15H2,1H3,(H,26,31)(H,27,30).
What are the key properties of 4-[2-(2-ethylanilino)-2-oxoethyl]-N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide?
4-[2-(2-ethylanilino)-2-oxoethyl]-N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide has a molecular weight of 440.51 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-ethylanilino)-2-oxoethyl]-N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide is sourced from PubChem (CID 55590102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).