3-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

C7H12F3N3O — CID 90242767

IUPAC3-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESNC(=O)N1CCNC(CC(F)(F)F)C1
InChIInChI=1S/C7H12F3N3O/c8-7(9,10)3-5-4-13(6(11)14)2-1-12-5/h5,12H,1-4H2,(H2,11,14)
InChIKeyXKYYMZGOUOQKND-UHFFFAOYSA-N
MW211.19 g/mol
LogP0.29
Rot. Bonds1

About 3-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

3-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (PubChem CID 90242767) has the molecular formula C7H12F3N3O and a molecular weight of 211.19 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
PubChem CID90242767
Molecular FormulaC7H12F3N3O
Molecular Weight211.19 g/mol
Exact Mass211.09
IUPAC Name3-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESNC(=O)N1CCNC(CC(F)(F)F)C1
InChIInChI=1S/C7H12F3N3O/c8-7(9,10)3-5-4-13(6(11)14)2-1-12-5/h5,12H,1-4H2,(H2,11,14)
InChIKeyXKYYMZGOUOQKND-UHFFFAOYSA-N
XLogP0.29
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-4-Trifluoromethyltetrahydropyrimidin-2-one
CID 57031146
(Piperidin-3-yl)urea
CID 22357499
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
N-(propan-2-yl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 49720610
3-(Trifluoromethyl)piperazine-1-carbaldehyde
CID 50989380
N-methyl-3-(trifluoromethyl)piperazine-1-carboxamide
CID 58171987
N-[(2R)-1,1,1-trifluoropropan-2-yl]piperazine-1-carboxamide
CID 67612386
N-[(2S)-1,1,1-trifluoropropan-2-yl]piperazine-1-carboxamide
CID 67614046
N-ethyl-4-methyl-3-(trifluoromethyl)piperazine-1-carboxamide
CID 68403574
1-Pyrrolidin-3-yl-1-(1,1,2-trifluoroethyl)urea
CID 71015507

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The IUPAC name of 3-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (CID 90242767) is 3-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.
What is the SMILES notation for 3-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The canonical SMILES for 3-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is NC(=O)N1CCNC(CC(F)(F)F)C1.
What is the InChIKey of 3-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The InChIKey is XKYYMZGOUOQKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N3O/c8-7(9,10)3-5-4-13(6(11)14)2-1-12-5/h5,12H,1-4H2,(H2,11,14).
What are the key properties of 3-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
3-(2,2,2-trifluoroethyl)piperazine-1-carboxamide has a molecular weight of 211.19 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is sourced from PubChem (CID 90242767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).