4-(2-methoxy-2-oxoethyl)-3-(trifluoromethyl)piperazine-1-carboxylic acid

C9H13F3N2O4 — CID 175394802

IUPAC4-(2-methoxy-2-oxoethyl)-3-(trifluoromethyl)piperazine-1-carboxylic acid
SMILESCOC(=O)CN1CCN(C(=O)O)CC1C(F)(F)F
InChIInChI=1S/C9H13F3N2O4/c1-18-7(15)5-13-2-3-14(8(16)17)4-6(13)9(10,11)12/h6H,2-5H2,1H3,(H,16,17)
InChIKeyUSEXXFWMWUEDTQ-UHFFFAOYSA-N
MW270.21 g/mol
LogP0.39
Rot. Bonds2

About 4-(2-methoxy-2-oxoethyl)-3-(trifluoromethyl)piperazine-1-carboxylic acid

4-(2-methoxy-2-oxoethyl)-3-(trifluoromethyl)piperazine-1-carboxylic acid (PubChem CID 175394802) has the molecular formula C9H13F3N2O4 and a molecular weight of 270.21 g/mol. Its IUPAC name is 4-(2-methoxy-2-oxoethyl)-3-(trifluoromethyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-methoxy-2-oxoethyl)-3-(trifluoromethyl)piperazine-1-carboxylic acid
PubChem CID175394802
Molecular FormulaC9H13F3N2O4
Molecular Weight270.21 g/mol
Exact Mass270.08
IUPAC Name4-(2-methoxy-2-oxoethyl)-3-(trifluoromethyl)piperazine-1-carboxylic acid
SMILESCOC(=O)CN1CCN(C(=O)O)CC1C(F)(F)F
InChIInChI=1S/C9H13F3N2O4/c1-18-7(15)5-13-2-3-14(8(16)17)4-6(13)9(10,11)12/h6H,2-5H2,1H3,(H,16,17)
InChIKeyUSEXXFWMWUEDTQ-UHFFFAOYSA-N
XLogP0.39
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-methoxy-2-oxoethyl)-3-(trifluoromethyl)piperazine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-2-oxoethyl)-3-(trifluoromethyl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(2-methoxy-2-oxoethyl)-3-(trifluoromethyl)piperazine-1-carboxylic acid (CID 175394802) is 4-(2-methoxy-2-oxoethyl)-3-(trifluoromethyl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(2-methoxy-2-oxoethyl)-3-(trifluoromethyl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(2-methoxy-2-oxoethyl)-3-(trifluoromethyl)piperazine-1-carboxylic acid is COC(=O)CN1CCN(C(=O)O)CC1C(F)(F)F.
What is the InChIKey of 4-(2-methoxy-2-oxoethyl)-3-(trifluoromethyl)piperazine-1-carboxylic acid?
The InChIKey is USEXXFWMWUEDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O4/c1-18-7(15)5-13-2-3-14(8(16)17)4-6(13)9(10,11)12/h6H,2-5H2,1H3,(H,16,17).
What are the key properties of 4-(2-methoxy-2-oxoethyl)-3-(trifluoromethyl)piperazine-1-carboxylic acid?
4-(2-methoxy-2-oxoethyl)-3-(trifluoromethyl)piperazine-1-carboxylic acid has a molecular weight of 270.21 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-2-oxoethyl)-3-(trifluoromethyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 175394802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).