2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride

C16H23ClF3N3O — CID 120758156

IUPAC2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
SMILESCCc1ccc(C2CNCCN2CC(=O)NCC(F)(F)F)cc1.Cl
InChIInChI=1S/C16H22F3N3O.ClH/c1-2-12-3-5-13(6-4-12)14-9-20-7-8-22(14)10-15(23)21-11-16(17,18)19;/h3-6,14,20H,2,7-11H2,1H3,(H,21,23);1H
InChIKeyPTWUSHBMSFSBRS-UHFFFAOYSA-N
MW365.83 g/mol
LogP2.30
Rot. Bonds5

About 2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride

2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride (PubChem CID 120758156) has the molecular formula C16H23ClF3N3O and a molecular weight of 365.83 g/mol. Its IUPAC name is 2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
PubChem CID120758156
Molecular FormulaC16H23ClF3N3O
Molecular Weight365.83 g/mol
Exact Mass365.15
IUPAC Name2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
SMILESCCc1ccc(C2CNCCN2CC(=O)NCC(F)(F)F)cc1.Cl
InChIInChI=1S/C16H22F3N3O.ClH/c1-2-12-3-5-13(6-4-12)14-9-20-7-8-22(14)10-15(23)21-11-16(17,18)19;/h3-6,14,20H,2,7-11H2,1H3,(H,21,23);1H
InChIKeyPTWUSHBMSFSBRS-UHFFFAOYSA-N
XLogP2.30
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.83
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 120758101
N-(4-acetamidophenyl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120758000
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride
CID 120758254
1-[2-(4-ethylphenyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one;hydrochloride
CID 120741414
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide;hydrochloride
CID 120756714
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 120758267
2-[2-(2-chlorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 120757638
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120757864
4-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]benzamide;hydrochloride
CID 120758148
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide;hydrochloride
CID 120758014
N-(2-cyclopentylpyrazol-3-yl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;dihydrochloride
CID 120757938
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120741031

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride?
The IUPAC name of 2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride (CID 120758156) is 2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride?
The canonical SMILES for 2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride is CCc1ccc(C2CNCCN2CC(=O)NCC(F)(F)F)cc1.Cl.
What is the InChIKey of 2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride?
The InChIKey is PTWUSHBMSFSBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O.ClH/c1-2-12-3-5-13(6-4-12)14-9-20-7-8-22(14)10-15(23)21-11-16(17,18)19;/h3-6,14,20H,2,7-11H2,1H3,(H,21,23);1H.
What are the key properties of 2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride?
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride has a molecular weight of 365.83 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride is sourced from PubChem (CID 120758156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).