N,4-dimethyl-3-(1-methylimidazol-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

C13H20F3N5O — CID 126817358

IUPACN,4-dimethyl-3-(1-methylimidazol-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESCN(CC(F)(F)F)C(=O)N1CCN(C)C(c2nccn2C)C1
InChIInChI=1S/C13H20F3N5O/c1-18-6-7-21(12(22)20(3)9-13(14,15)16)8-10(18)11-17-4-5-19(11)2/h4-5,10H,6-9H2,1-3H3
InChIKeyIZLXBRGUKHDZNJ-UHFFFAOYSA-N
MW319.33 g/mol
LogP1.32
Rot. Bonds2

About N,4-dimethyl-3-(1-methylimidazol-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

N,4-dimethyl-3-(1-methylimidazol-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (PubChem CID 126817358) has the molecular formula C13H20F3N5O and a molecular weight of 319.33 g/mol. Its IUPAC name is N,4-dimethyl-3-(1-methylimidazol-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-3-(1-methylimidazol-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
PubChem CID126817358
Molecular FormulaC13H20F3N5O
Molecular Weight319.33 g/mol
Exact Mass319.16
IUPAC NameN,4-dimethyl-3-(1-methylimidazol-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESCN(CC(F)(F)F)C(=O)N1CCN(C)C(c2nccn2C)C1
InChIInChI=1S/C13H20F3N5O/c1-18-6-7-21(12(22)20(3)9-13(14,15)16)8-10(18)11-17-4-5-19(11)2/h4-5,10H,6-9H2,1-3H3
InChIKeyIZLXBRGUKHDZNJ-UHFFFAOYSA-N
XLogP1.32
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-methyl-1-[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-methylsulfanylpropan-1-one
CID 129478886
1-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-methylsulfanylbutan-1-one
CID 128992681
(3-ethyl-1-methylpyrazol-4-yl)-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 128997376
(4-ethylthiadiazol-5-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129478872
(3-ethyl-1-methylpyrazol-4-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129341721
(4-ethyl-1,3-thiazol-5-yl)-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129006466
[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 129478430
(3R)-N-benzyl-4-methyl-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide
CID 129478300
(5-fluoro-2-pyridinyl)-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 128966106
[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 128992746
2-[(1S)-cyclopent-2-en-1-yl]-1-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 129478979
4-methyl-3-(1-methylimidazol-2-yl)-N-(thiolan-2-ylmethyl)piperazine-1-carboxamide
CID 128998938

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-(1-methylimidazol-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The IUPAC name of N,4-dimethyl-3-(1-methylimidazol-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (CID 126817358) is N,4-dimethyl-3-(1-methylimidazol-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.
What is the SMILES notation for N,4-dimethyl-3-(1-methylimidazol-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The canonical SMILES for N,4-dimethyl-3-(1-methylimidazol-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is CN(CC(F)(F)F)C(=O)N1CCN(C)C(c2nccn2C)C1.
What is the InChIKey of N,4-dimethyl-3-(1-methylimidazol-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The InChIKey is IZLXBRGUKHDZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N5O/c1-18-6-7-21(12(22)20(3)9-13(14,15)16)8-10(18)11-17-4-5-19(11)2/h4-5,10H,6-9H2,1-3H3.
What are the key properties of N,4-dimethyl-3-(1-methylimidazol-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
N,4-dimethyl-3-(1-methylimidazol-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide has a molecular weight of 319.33 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-(1-methylimidazol-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is sourced from PubChem (CID 126817358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).