[1-(2-methoxyacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate

C9H13F3N2O4 — CID 145440271

IUPAC[1-(2-methoxyacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate
SMILESCOCC(=O)N1CCNCC1OC(=O)C(F)(F)F
InChIInChI=1S/C9H13F3N2O4/c1-17-5-6(15)14-3-2-13-4-7(14)18-8(16)9(10,11)12/h7,13H,2-5H2,1H3
InChIKeyUSGWXEQIDDPISN-UHFFFAOYSA-N
MW270.21 g/mol
LogP-0.50
Rot. Bonds3

About [1-(2-methoxyacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate

[1-(2-methoxyacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate (PubChem CID 145440271) has the molecular formula C9H13F3N2O4 and a molecular weight of 270.21 g/mol. Its IUPAC name is [1-(2-methoxyacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[1-(2-methoxyacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate
PubChem CID145440271
Molecular FormulaC9H13F3N2O4
Molecular Weight270.21 g/mol
Exact Mass270.08
IUPAC Name[1-(2-methoxyacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate
SMILESCOCC(=O)N1CCNCC1OC(=O)C(F)(F)F
InChIInChI=1S/C9H13F3N2O4/c1-17-5-6(15)14-3-2-13-4-7(14)18-8(16)9(10,11)12/h7,13H,2-5H2,1H3
InChIKeyUSGWXEQIDDPISN-UHFFFAOYSA-N
XLogP-0.50
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(2-methoxyacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate 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

Ethyl 2-oxo-2-(piperazin-1-yl)acetate hydrochloride
CID 54594005
Ethyl {[2-(morpholin-4-YL)ethyl]carbamoyl}formate
CID 5152769
3,6-Dioxopiperazine-2,5-diyl diacetate
CID 337888
Ethyl 4-(2-trifluoroacetamidoethyl)piperazine-1-acetate
CID 53726615
Ethyl 2-oxo-2-(piperazin-1-yl)acetate
CID 54594006
1-(2-Methoxy-ethyl)-2-oxopiperazine trifluoroacetic acid salt
CID 67374896
2,2,2-Trifluoroethyl 2-oxo-2-[2-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetate
CID 88924126
[2-(2-Oxopiperazin-1-yl)acetyl] 2,2,2-trifluoroacetate
CID 138689841
(4-Methyl-3-oxopiperazin-2-yl) 2,2,2-trifluoroacetate
CID 140053139
[1-(2-Methoxyethyl)piperazin-2-yl] 2,2,2-trifluoroacetate
CID 140226931
[4-(2-Methoxyethyl)-3-oxopiperazin-2-yl] 2,2,2-trifluoroacetate
CID 140226932
(4-Ethyl-3-oxopiperazin-2-yl) 2,2,2-trifluoroacetate
CID 140561622

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [1-(2-methoxyacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate (CID 145440271) is [1-(2-methoxyacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [1-(2-methoxyacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [1-(2-methoxyacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate is COCC(=O)N1CCNCC1OC(=O)C(F)(F)F.
What is the InChIKey of [1-(2-methoxyacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate?
The InChIKey is USGWXEQIDDPISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O4/c1-17-5-6(15)14-3-2-13-4-7(14)18-8(16)9(10,11)12/h7,13H,2-5H2,1H3.
What are the key properties of [1-(2-methoxyacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate?
[1-(2-methoxyacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate has a molecular weight of 270.21 g/mol, XLogP of -0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 145440271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).