2-methyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

C8H12F3N3O2 — CID 115613470

IUPAC2-methyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESCC1C(=O)NCCN1C(=O)NCC(F)(F)F
InChIInChI=1S/C8H12F3N3O2/c1-5-6(15)12-2-3-14(5)7(16)13-4-8(9,10)11/h5H,2-4H2,1H3,(H,12,15)(H,13,16)
InChIKeyRGXMQVZLQDUVNI-UHFFFAOYSA-N
MW239.20 g/mol
LogP0.08
Rot. Bonds1

About 2-methyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

2-methyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (PubChem CID 115613470) has the molecular formula C8H12F3N3O2 and a molecular weight of 239.20 g/mol. Its IUPAC name is 2-methyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name2-methyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
PubChem CID115613470
Molecular FormulaC8H12F3N3O2
Molecular Weight239.20 g/mol
Exact Mass239.09
IUPAC Name2-methyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESCC1C(=O)NCCN1C(=O)NCC(F)(F)F
InChIInChI=1S/C8H12F3N3O2/c1-5-6(15)12-2-3-14(5)7(16)13-4-8(9,10)11/h5H,2-4H2,1H3,(H,12,15)(H,13,16)
InChIKeyRGXMQVZLQDUVNI-UHFFFAOYSA-N
XLogP0.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-4-[2-oxo-2-(pentan-3-ylamino)ethyl]piperazine-1-carboxamide
CID 45815835
3-(dimethylamino)-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-1-carboxamide
CID 71868030
2-[4-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 72141067
2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide
CID 75443708
N-tert-butyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide
CID 53017587
1-(2,2-Difluoroethyl)-3-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1-propylurea
CID 56825418
(2S)-2-[cyclobutyl(3,3,3-trifluoropropyl)amino]-N-(ethylcarbamoyl)propanamide
CID 97238203
5,5-Dimethyl-4-(3,3,3-trifluoropropanoyl)piperazin-2-one
CID 119051597
1-(2,5-Dimethylpiperazin-1-yl)-2,2,3,3,3-pentafluoropropan-1-one
CID 108093869
1-(3,5-Dimethylpiperazin-1-yl)-2,2,3,3,3-pentafluoropropan-1-one
CID 114038035
2,2,2-trifluoro-N-methyl-N-[1-[[methyl-[1-(methylamino)propan-2-yl]carbamoyl]amino]propan-2-yl]acetamide
CID 21030157
5,5-Dimethyl-4-(2,2,2-trifluoroacetyl)piperazin-2-one
CID 57128577

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The IUPAC name of 2-methyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (CID 115613470) is 2-methyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.
What is the SMILES notation for 2-methyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The canonical SMILES for 2-methyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is CC1C(=O)NCCN1C(=O)NCC(F)(F)F.
What is the InChIKey of 2-methyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The InChIKey is RGXMQVZLQDUVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2/c1-5-6(15)12-2-3-14(5)7(16)13-4-8(9,10)11/h5H,2-4H2,1H3,(H,12,15)(H,13,16).
What are the key properties of 2-methyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
2-methyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide has a molecular weight of 239.20 g/mol, XLogP of 0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is sourced from PubChem (CID 115613470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).