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

C10H15F3N2O4 — CID 176887167

IUPAC4-(2-ethoxy-2-oxoethyl)-3-(trifluoromethyl)piperazine-1-carboxylic acid
SMILESCCOC(=O)CN1CCN(C(=O)O)CC1C(F)(F)F
InChIInChI=1S/C10H15F3N2O4/c1-2-19-8(16)6-14-3-4-15(9(17)18)5-7(14)10(11,12)13/h7H,2-6H2,1H3,(H,17,18)
InChIKeyQAXAIWSQQBZREL-UHFFFAOYSA-N
MW284.23 g/mol
LogP0.78
Rot. Bonds3

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

4-(2-ethoxy-2-oxoethyl)-3-(trifluoromethyl)piperazine-1-carboxylic acid (PubChem CID 176887167) has the molecular formula C10H15F3N2O4 and a molecular weight of 284.23 g/mol. Its IUPAC name is 4-(2-ethoxy-2-oxoethyl)-3-(trifluoromethyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-ethoxy-2-oxoethyl)-3-(trifluoromethyl)piperazine-1-carboxylic acid
PubChem CID176887167
Molecular FormulaC10H15F3N2O4
Molecular Weight284.23 g/mol
Exact Mass284.10
IUPAC Name4-(2-ethoxy-2-oxoethyl)-3-(trifluoromethyl)piperazine-1-carboxylic acid
SMILESCCOC(=O)CN1CCN(C(=O)O)CC1C(F)(F)F
InChIInChI=1S/C10H15F3N2O4/c1-2-19-8(16)6-14-3-4-15(9(17)18)5-7(14)10(11,12)13/h7H,2-6H2,1H3,(H,17,18)
InChIKeyQAXAIWSQQBZREL-UHFFFAOYSA-N
XLogP0.78
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxy-2-oxoethyl)-3-(trifluoromethyl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(2-ethoxy-2-oxoethyl)-3-(trifluoromethyl)piperazine-1-carboxylic acid (CID 176887167) is 4-(2-ethoxy-2-oxoethyl)-3-(trifluoromethyl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(2-ethoxy-2-oxoethyl)-3-(trifluoromethyl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(2-ethoxy-2-oxoethyl)-3-(trifluoromethyl)piperazine-1-carboxylic acid is CCOC(=O)CN1CCN(C(=O)O)CC1C(F)(F)F.
What is the InChIKey of 4-(2-ethoxy-2-oxoethyl)-3-(trifluoromethyl)piperazine-1-carboxylic acid?
The InChIKey is QAXAIWSQQBZREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O4/c1-2-19-8(16)6-14-3-4-15(9(17)18)5-7(14)10(11,12)13/h7H,2-6H2,1H3,(H,17,18).
What are the key properties of 4-(2-ethoxy-2-oxoethyl)-3-(trifluoromethyl)piperazine-1-carboxylic acid?
4-(2-ethoxy-2-oxoethyl)-3-(trifluoromethyl)piperazine-1-carboxylic acid has a molecular weight of 284.23 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxy-2-oxoethyl)-3-(trifluoromethyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 176887167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).