2-(4-acetylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

C15H19F3N3O2+ — CID 8904321

IUPAC2-(4-acetylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N1CC[NH+](CC(=O)Nc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C15H18F3N3O2/c1-11(22)21-8-6-20(7-9-21)10-14(23)19-13-4-2-12(3-5-13)15(16,17)18/h2-5H,6-10H2,1H3,(H,19,23)/p+1
InChIKeyBGJHXAMDBIHPSM-UHFFFAOYSA-O
MW330.33 g/mol
LogP0.39
Rot. Bonds3

About 2-(4-acetylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

2-(4-acetylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 8904321) has the molecular formula C15H19F3N3O2+ and a molecular weight of 330.33 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID8904321
Molecular FormulaC15H19F3N3O2+
Molecular Weight330.33 g/mol
Exact Mass330.14
IUPAC Name2-(4-acetylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N1CC[NH+](CC(=O)Nc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C15H18F3N3O2/c1-11(22)21-8-6-20(7-9-21)10-14(23)19-13-4-2-12(3-5-13)15(16,17)18/h2-5H,6-10H2,1H3,(H,19,23)/p+1
InChIKeyBGJHXAMDBIHPSM-UHFFFAOYSA-O
XLogP0.39
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(4-acetylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-acetylpiperazin-1-ium-1-yl)-N-(4-tert-butylphenyl)acetamide
CID 8904245
2-(4-methylpiperazine-1,4-diium-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 8896609
2-(4-acetylpiperazin-1-ium-1-yl)-N-phenylacetamide
CID 8904289
2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepane-1,4-diium-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9131113
2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide
CID 8904357
2-[4-(2-methoxyacetyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9020903
2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide
CID 9022112
N-(4-acetylphenyl)-2-(4-benzoylpiperazin-1-ium-1-yl)acetamide
CID 9223591
N-(4-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 8704189
N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 6974857
2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-N-phenylbenzamide
CID 7833202
1-(4-acetylpiperazin-1-yl)-2-[4-(trifluoromethyl)anilino]ethanone
CID 108996185

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 8904321) is 2-(4-acetylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is CC(=O)N1CC[NH+](CC(=O)Nc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is BGJHXAMDBIHPSM-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H18F3N3O2/c1-11(22)21-8-6-20(7-9-21)10-14(23)19-13-4-2-12(3-5-13)15(16,17)18/h2-5H,6-10H2,1H3,(H,19,23)/p+1.
What are the key properties of 2-(4-acetylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(4-acetylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 330.33 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 8904321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).