2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide

C17H23F3N4O2 — CID 120758101

IUPAC2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESCCc1ccc(C2CNCCN2CC(=O)NC(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C17H23F3N4O2/c1-2-12-3-5-13(6-4-12)14-9-21-7-8-24(14)10-15(25)23-16(26)22-11-17(18,19)20/h3-6,14,21H,2,7-11H2,1H3,(H2,22,23,25,26)
InChIKeyZBYSZOYNXPMZTN-UHFFFAOYSA-N
MW372.39 g/mol
LogP1.58
Rot. Bonds5

About 2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide

2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (PubChem CID 120758101) has the molecular formula C17H23F3N4O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is 2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
PubChem CID120758101
Molecular FormulaC17H23F3N4O2
Molecular Weight372.39 g/mol
Exact Mass372.18
IUPAC Name2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESCCc1ccc(C2CNCCN2CC(=O)NC(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C17H23F3N4O2/c1-2-12-3-5-13(6-4-12)14-9-21-7-8-24(14)10-15(25)23-16(26)22-11-17(18,19)20/h3-6,14,21H,2,7-11H2,1H3,(H2,22,23,25,26)
InChIKeyZBYSZOYNXPMZTN-UHFFFAOYSA-N
XLogP1.58
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
CID 120758156
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide;hydrochloride
CID 120756714
N-(4-acetamidophenyl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120758000
1-[2-(4-ethylphenyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one;hydrochloride
CID 120741414
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride
CID 120758254
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 120758267
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120741031
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
N-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 120741447
2-[2-(2-chlorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 120757638
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide;hydrochloride
CID 120758014

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The IUPAC name of 2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (CID 120758101) is 2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The canonical SMILES for 2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is CCc1ccc(C2CNCCN2CC(=O)NC(=O)NCC(F)(F)F)cc1.
What is the InChIKey of 2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The InChIKey is ZBYSZOYNXPMZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N4O2/c1-2-12-3-5-13(6-4-12)14-9-21-7-8-24(14)10-15(25)23-16(26)22-11-17(18,19)20/h3-6,14,21H,2,7-11H2,1H3,(H2,22,23,25,26).
What are the key properties of 2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide has a molecular weight of 372.39 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is sourced from PubChem (CID 120758101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).