3-(trifluoromethyl)piperazine-1-carboxamide

C6H10F3N3O — CID 90242619

IUPAC3-(trifluoromethyl)piperazine-1-carboxamide
SMILESNC(=O)N1CCNC(C(F)(F)F)C1
InChIInChI=1S/C6H10F3N3O/c7-6(8,9)4-3-12(5(10)13)2-1-11-4/h4,11H,1-3H2,(H2,10,13)
InChIKeyPJMJDRBFXJCFJY-UHFFFAOYSA-N
MW197.16 g/mol
LogP-0.10
Rot. Bonds

About 3-(trifluoromethyl)piperazine-1-carboxamide

3-(trifluoromethyl)piperazine-1-carboxamide (PubChem CID 90242619) has the molecular formula C6H10F3N3O and a molecular weight of 197.16 g/mol. Its IUPAC name is 3-(trifluoromethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name3-(trifluoromethyl)piperazine-1-carboxamide
PubChem CID90242619
Molecular FormulaC6H10F3N3O
Molecular Weight197.16 g/mol
Exact Mass197.08
IUPAC Name3-(trifluoromethyl)piperazine-1-carboxamide
SMILESNC(=O)N1CCNC(C(F)(F)F)C1
InChIInChI=1S/C6H10F3N3O/c7-6(8,9)4-3-12(5(10)13)2-1-11-4/h4,11H,1-3H2,(H2,10,13)
InChIKeyPJMJDRBFXJCFJY-UHFFFAOYSA-N
XLogP-0.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(trifluoromethyl)piperazine-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-Methylpiperazine-1-carboxamide
CID 20072686
4-[(2S)-1,1,1-trifluoropropan-2-yl]piperazine-1-carboxamide
CID 164635091
(3S)-4-(2,2-difluoroethyl)-3-ethylpiperazine-1-carboxamide
CID 164640952
2,2,2-Trifluoro-1-(3-methylpiperazin-1-yl)ethanone
CID 22507590
2,2,2-Trifluoro-1-(2-methylpiperazin-1-yl)ethanone
CID 22507592
2,2,2-Trifluoro-1-[(3S)-3-methylpiperazin-1-yl]ethan-1-one
CID 45080912
N-(propan-2-yl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 49720610
3-(Trifluoromethyl)piperazine-1-carbaldehyde
CID 50989380
N-tert-butyl-4-methyl-3-(trifluoromethyl)piperazine-1-carboxamide
CID 58171847
N-methyl-3-(trifluoromethyl)piperazine-1-carboxamide
CID 58171987
1-[2-(Trifluoromethyl)piperazin-1-yl]ethanone
CID 58542246
N-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 60891740

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)piperazine-1-carboxamide?
The IUPAC name of 3-(trifluoromethyl)piperazine-1-carboxamide (CID 90242619) is 3-(trifluoromethyl)piperazine-1-carboxamide.
What is the SMILES notation for 3-(trifluoromethyl)piperazine-1-carboxamide?
The canonical SMILES for 3-(trifluoromethyl)piperazine-1-carboxamide is NC(=O)N1CCNC(C(F)(F)F)C1.
What is the InChIKey of 3-(trifluoromethyl)piperazine-1-carboxamide?
The InChIKey is PJMJDRBFXJCFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N3O/c7-6(8,9)4-3-12(5(10)13)2-1-11-4/h4,11H,1-3H2,(H2,10,13).
What are the key properties of 3-(trifluoromethyl)piperazine-1-carboxamide?
3-(trifluoromethyl)piperazine-1-carboxamide has a molecular weight of 197.16 g/mol, XLogP of -0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)piperazine-1-carboxamide is sourced from PubChem (CID 90242619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).