N-ethyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide

C15H20F3N3O — CID 165433778

IUPACN-ethyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
SMILESCCNC(=O)CN1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C15H20F3N3O/c1-2-19-14(22)11-20-7-9-21(10-8-20)13-5-3-12(4-6-13)15(16,17)18/h3-6H,2,7-11H2,1H3,(H,19,22)
InChIKeyUNEQJKAMSAUXHH-UHFFFAOYSA-N
MW315.34 g/mol
LogP1.96
Rot. Bonds4

About N-ethyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide

N-ethyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide (PubChem CID 165433778) has the molecular formula C15H20F3N3O and a molecular weight of 315.34 g/mol. Its IUPAC name is N-ethyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
PubChem CID165433778
Molecular FormulaC15H20F3N3O
Molecular Weight315.34 g/mol
Exact Mass315.16
IUPAC NameN-ethyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
SMILESCCNC(=O)CN1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C15H20F3N3O/c1-2-19-14(22)11-20-7-9-21(10-8-20)13-5-3-12(4-6-13)15(16,17)18/h3-6H,2,7-11H2,1H3,(H,19,22)
InChIKeyUNEQJKAMSAUXHH-UHFFFAOYSA-N
XLogP1.96
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]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-(4-fluorophenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 4081738
1-(4-ethylpiperazin-1-yl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 57442902
N-ethyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 36727936
N-ethyl-2-[4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]piperazin-1-yl]acetamide
CID 39569178
N-(5-methyl-2-pyridinyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 163896529
2-(4-phenylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 1051921
2-[4-[4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]acetic acid
CID 62823600
2-[4-(4-nitrophenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 3568177
N-propyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113103275
N-carbamoyl-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 75431410
N-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 78787987
N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 37307613

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide (CID 165433778) is N-ethyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide is CCNC(=O)CN1CCN(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-ethyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
The InChIKey is UNEQJKAMSAUXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O/c1-2-19-14(22)11-20-7-9-21(10-8-20)13-5-3-12(4-6-13)15(16,17)18/h3-6H,2,7-11H2,1H3,(H,19,22).
What are the key properties of N-ethyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
N-ethyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide has a molecular weight of 315.34 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 165433778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).