(4-ethyl-3-oxopiperazin-2-yl) 2,2,2-trifluoroacetate

C8H11F3N2O3 — CID 140561622

IUPAC(4-ethyl-3-oxopiperazin-2-yl) 2,2,2-trifluoroacetate
SMILESCCN1CCNC(OC(=O)C(F)(F)F)C1=O
InChIInChI=1S/C8H11F3N2O3/c1-2-13-4-3-12-5(6(13)14)16-7(15)8(9,10)11/h5,12H,2-4H2,1H3
InChIKeyPUSCTXXGKZIROJ-UHFFFAOYSA-N
MW240.18 g/mol
LogP-0.13
Rot. Bonds2

About (4-ethyl-3-oxopiperazin-2-yl) 2,2,2-trifluoroacetate

(4-ethyl-3-oxopiperazin-2-yl) 2,2,2-trifluoroacetate (PubChem CID 140561622) has the molecular formula C8H11F3N2O3 and a molecular weight of 240.18 g/mol. Its IUPAC name is (4-ethyl-3-oxopiperazin-2-yl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(4-ethyl-3-oxopiperazin-2-yl) 2,2,2-trifluoroacetate
PubChem CID140561622
Molecular FormulaC8H11F3N2O3
Molecular Weight240.18 g/mol
Exact Mass240.07
IUPAC Name(4-ethyl-3-oxopiperazin-2-yl) 2,2,2-trifluoroacetate
SMILESCCN1CCNC(OC(=O)C(F)(F)F)C1=O
InChIInChI=1S/C8H11F3N2O3/c1-2-13-4-3-12-5(6(13)14)16-7(15)8(9,10)11/h5,12H,2-4H2,1H3
InChIKeyPUSCTXXGKZIROJ-UHFFFAOYSA-N
XLogP-0.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
[1-Amino-2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2,2,2-trifluoroacetate
CID 87223457
[1-Amino-2-(dimethylamino)-2-oxoethyl] 2,2,2-trifluoroacetate
CID 87228783
2-[[2-(Ethylamino)acetyl]amino]ethyl 2,2,2-trifluoroacetate
CID 87324565
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
[3-Oxo-4-(2,2,2-trifluoroacetyl)oxypiperazin-2-yl] 2,2,2-trifluoroacetate
CID 139904190

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-3-oxopiperazin-2-yl) 2,2,2-trifluoroacetate?
The IUPAC name of (4-ethyl-3-oxopiperazin-2-yl) 2,2,2-trifluoroacetate (CID 140561622) is (4-ethyl-3-oxopiperazin-2-yl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (4-ethyl-3-oxopiperazin-2-yl) 2,2,2-trifluoroacetate?
The canonical SMILES for (4-ethyl-3-oxopiperazin-2-yl) 2,2,2-trifluoroacetate is CCN1CCNC(OC(=O)C(F)(F)F)C1=O.
What is the InChIKey of (4-ethyl-3-oxopiperazin-2-yl) 2,2,2-trifluoroacetate?
The InChIKey is PUSCTXXGKZIROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O3/c1-2-13-4-3-12-5(6(13)14)16-7(15)8(9,10)11/h5,12H,2-4H2,1H3.
What are the key properties of (4-ethyl-3-oxopiperazin-2-yl) 2,2,2-trifluoroacetate?
(4-ethyl-3-oxopiperazin-2-yl) 2,2,2-trifluoroacetate has a molecular weight of 240.18 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-3-oxopiperazin-2-yl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 140561622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).