2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C16H23F3N3O2+ — CID 8691425

IUPAC2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCOc1ccccc1N1CC[NH+](CC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C16H22F3N3O2/c1-2-24-14-6-4-3-5-13(14)22-9-7-21(8-10-22)11-15(23)20-12-16(17,18)19/h3-6H,2,7-12H2,1H3,(H,20,23)/p+1
InChIKeyQKGHAAGNKFZNSH-UHFFFAOYSA-O
MW346.37 g/mol
LogP0.47
Rot. Bonds6

About 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 8691425) has the molecular formula C16H23F3N3O2+ and a molecular weight of 346.37 g/mol. Its IUPAC name is 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID8691425
Molecular FormulaC16H23F3N3O2+
Molecular Weight346.37 g/mol
Exact Mass346.17
IUPAC Name2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCOc1ccccc1N1CC[NH+](CC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C16H22F3N3O2/c1-2-24-14-6-4-3-5-13(14)22-9-7-21(8-10-22)11-15(23)20-12-16(17,18)19/h3-6H,2,7-12H2,1H3,(H,20,23)/p+1
InChIKeyQKGHAAGNKFZNSH-UHFFFAOYSA-O
XLogP0.47
TPSA46.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2,2,2-trifluoroethyl)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-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetohydrazide
CID 7060420
2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylethyl)acetamide
CID 9027893
N-(4-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8703710
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8703770
2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 9346325
2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 8703554
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]ethanone
CID 7417896
N-(1,3-benzodioxol-5-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2161884
N-(3-cyanothiophen-2-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2406609
N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 9328321
(2S)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 9430403
N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8687643

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 8691425) is 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is CCOc1ccccc1N1CC[NH+](CC(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is QKGHAAGNKFZNSH-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H22F3N3O2/c1-2-24-14-6-4-3-5-13(14)22-9-7-21(8-10-22)11-15(23)20-12-16(17,18)19/h3-6H,2,7-12H2,1H3,(H,20,23)/p+1.
What are the key properties of 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 346.37 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 8691425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).