2-(4-ethylpiperazin-1-yl)-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide

C15H18F3N3O2 — CID 87039943

IUPAC2-(4-ethylpiperazin-1-yl)-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCN1CCN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C15H18F3N3O2/c1-2-20-7-9-21(10-8-20)14(23)13(22)19-12-5-3-11(4-6-12)15(16,17)18/h3-6H,2,7-10H2,1H3,(H,19,22)
InChIKeyWFRCVMQRLYLZFF-UHFFFAOYSA-N
MW329.32 g/mol
LogP1.81
Rot. Bonds2

About 2-(4-ethylpiperazin-1-yl)-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide

2-(4-ethylpiperazin-1-yl)-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 87039943) has the molecular formula C15H18F3N3O2 and a molecular weight of 329.32 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID87039943
Molecular FormulaC15H18F3N3O2
Molecular Weight329.32 g/mol
Exact Mass329.14
IUPAC Name2-(4-ethylpiperazin-1-yl)-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCN1CCN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C15H18F3N3O2/c1-2-20-7-9-21(10-8-20)14(23)13(22)19-12-5-3-11(4-6-12)15(16,17)18/h3-6H,2,7-10H2,1H3,(H,19,22)
InChIKeyWFRCVMQRLYLZFF-UHFFFAOYSA-N
XLogP1.81
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-tert-butylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide
CID 108522878
(4-ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 2422199
2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 108531694
N-(4-tert-butylphenyl)-4-ethylpiperazine-1-carboxamide
CID 108884847
2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide
CID 108530744
4-[(2S)-2-hydroxybutyl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 97025685
ethyl 4-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]piperazine-1-carboxylate
CID 8932175
2-(4-ethylpiperazin-1-yl)-2-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 87039947
N-(2,5-difluorophenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide
CID 108529715
N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 39724550
4-(2-methoxyethyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113104985
1-(4-ethylpiperazin-1-yl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 57442902

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide (CID 87039943) is 2-(4-ethylpiperazin-1-yl)-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide is CCN1CCN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is WFRCVMQRLYLZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O2/c1-2-20-7-9-21(10-8-20)14(23)13(22)19-12-5-3-11(4-6-12)15(16,17)18/h3-6H,2,7-10H2,1H3,(H,19,22).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(4-ethylpiperazin-1-yl)-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 329.32 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 87039943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).