N-(4-acetylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;hydrochloride

C21H23ClF3N3O2 — CID 171700191

IUPACN-(4-acetylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;hydrochloride
SMILESCC(=O)c1ccc(NC(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1.Cl
InChIInChI=1S/C21H22F3N3O2.ClH/c1-15(28)16-5-7-18(8-6-16)25-20(29)14-26-9-11-27(12-10-26)19-4-2-3-17(13-19)21(22,23)24;/h2-8,13H,9-12,14H2,1H3,(H,25,29);1H
InChIKeyGBNKUCMOOQNPHM-UHFFFAOYSA-N
MW441.88 g/mol
LogP4.09
Rot. Bonds5

About N-(4-acetylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;hydrochloride

N-(4-acetylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;hydrochloride (PubChem CID 171700191) has the molecular formula C21H23ClF3N3O2 and a molecular weight of 441.88 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;hydrochloride
PubChem CID171700191
Molecular FormulaC21H23ClF3N3O2
Molecular Weight441.88 g/mol
Exact Mass441.14
IUPAC NameN-(4-acetylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;hydrochloride
SMILESCC(=O)c1ccc(NC(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1.Cl
InChIInChI=1S/C21H22F3N3O2.ClH/c1-15(28)16-5-7-18(8-6-16)25-20(29)14-26-9-11-27(12-10-26)19-4-2-3-17(13-19)21(22,23)24;/h2-8,13H,9-12,14H2,1H3,(H,25,29);1H
InChIKeyGBNKUCMOOQNPHM-UHFFFAOYSA-N
XLogP4.09
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.88
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199175
N-(4-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 1448514
N-(4-butoxyphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 3229501
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 50875724
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2698408
N-(2,1,3-benzothiadiazol-5-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 17148965
2-(4-phenylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 1051921
N-(4-acetylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 1142120
N-[2-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199190
N-(2-fluorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 6466887
N-(2-methyl-4-oxopentan-3-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 51111743
N-(2,4,5-trichlorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199205

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-(4-acetylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;hydrochloride (CID 171700191) is N-(4-acetylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(4-acetylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-(4-acetylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;hydrochloride is CC(=O)c1ccc(NC(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1.Cl.
What is the InChIKey of N-(4-acetylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;hydrochloride?
The InChIKey is GBNKUCMOOQNPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3O2.ClH/c1-15(28)16-5-7-18(8-6-16)25-20(29)14-26-9-11-27(12-10-26)19-4-2-3-17(13-19)21(22,23)24;/h2-8,13H,9-12,14H2,1H3,(H,25,29);1H.
What are the key properties of N-(4-acetylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;hydrochloride?
N-(4-acetylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;hydrochloride has a molecular weight of 441.88 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 171700191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).