4-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide

C7H10F3N3O2 — CID 130771400

IUPAC4-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide
SMILESNC(=O)C1CN(C(=O)C(F)(F)F)CCN1
InChIInChI=1S/C7H10F3N3O2/c8-7(9,10)6(15)13-2-1-12-4(3-13)5(11)14/h4,12H,1-3H2,(H2,11,14)
InChIKeyIMRWBZHYXWKQQI-UHFFFAOYSA-N
MW225.17 g/mol
LogP-1.17
Rot. Bonds1

About 4-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide

4-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide (PubChem CID 130771400) has the molecular formula C7H10F3N3O2 and a molecular weight of 225.17 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name4-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide
PubChem CID130771400
Molecular FormulaC7H10F3N3O2
Molecular Weight225.17 g/mol
Exact Mass225.07
IUPAC Name4-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide
SMILESNC(=O)C1CN(C(=O)C(F)(F)F)CCN1
InChIInChI=1S/C7H10F3N3O2/c8-7(9,10)6(15)13-2-1-12-4(3-13)5(11)14/h4,12H,1-3H2,(H2,11,14)
InChIKeyIMRWBZHYXWKQQI-UHFFFAOYSA-N
XLogP-1.17
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide?
The IUPAC name of 4-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide (CID 130771400) is 4-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide.
What is the SMILES notation for 4-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide?
The canonical SMILES for 4-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide is NC(=O)C1CN(C(=O)C(F)(F)F)CCN1.
What is the InChIKey of 4-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide?
The InChIKey is IMRWBZHYXWKQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O2/c8-7(9,10)6(15)13-2-1-12-4(3-13)5(11)14/h4,12H,1-3H2,(H2,11,14).
What are the key properties of 4-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide?
4-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide has a molecular weight of 225.17 g/mol, XLogP of -1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide is sourced from PubChem (CID 130771400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).