1-(trifluoromethyl)piperazine-2-carboxamide

C6H10F3N3O — CID 175949057

IUPAC1-(trifluoromethyl)piperazine-2-carboxamide
SMILESNC(=O)C1CNCCN1C(F)(F)F
InChIInChI=1S/C6H10F3N3O/c7-6(8,9)12-2-1-11-3-4(12)5(10)13/h4,11H,1-3H2,(H2,10,13)
InChIKeyHEFUZZSOUPFCDE-UHFFFAOYSA-N
MW197.16 g/mol
LogP-0.73
Rot. Bonds1

About 1-(trifluoromethyl)piperazine-2-carboxamide

1-(trifluoromethyl)piperazine-2-carboxamide (PubChem CID 175949057) has the molecular formula C6H10F3N3O and a molecular weight of 197.16 g/mol. Its IUPAC name is 1-(trifluoromethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name1-(trifluoromethyl)piperazine-2-carboxamide
PubChem CID175949057
Molecular FormulaC6H10F3N3O
Molecular Weight197.16 g/mol
Exact Mass197.08
IUPAC Name1-(trifluoromethyl)piperazine-2-carboxamide
SMILESNC(=O)C1CNCCN1C(F)(F)F
InChIInChI=1S/C6H10F3N3O/c7-6(8,9)12-2-1-11-3-4(12)5(10)13/h4,11H,1-3H2,(H2,10,13)
InChIKeyHEFUZZSOUPFCDE-UHFFFAOYSA-N
XLogP-0.73
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 1-(trifluoromethyl)piperazine-2-carboxamide 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 1-(trifluoromethyl)piperazine-2-carboxamide?
The IUPAC name of 1-(trifluoromethyl)piperazine-2-carboxamide (CID 175949057) is 1-(trifluoromethyl)piperazine-2-carboxamide.
What is the SMILES notation for 1-(trifluoromethyl)piperazine-2-carboxamide?
The canonical SMILES for 1-(trifluoromethyl)piperazine-2-carboxamide is NC(=O)C1CNCCN1C(F)(F)F.
What is the InChIKey of 1-(trifluoromethyl)piperazine-2-carboxamide?
The InChIKey is HEFUZZSOUPFCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N3O/c7-6(8,9)12-2-1-11-3-4(12)5(10)13/h4,11H,1-3H2,(H2,10,13).
What are the key properties of 1-(trifluoromethyl)piperazine-2-carboxamide?
1-(trifluoromethyl)piperazine-2-carboxamide has a molecular weight of 197.16 g/mol, XLogP of -0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)piperazine-2-carboxamide is sourced from PubChem (CID 175949057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).