2,2-dimethyl-3,5-dioxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

C9H12F3N3O3 — CID 113463021

IUPAC2,2-dimethyl-3,5-dioxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)NCC(F)(F)F
InChIInChI=1S/C9H12F3N3O3/c1-8(2)6(17)14-5(16)3-15(8)7(18)13-4-9(10,11)12/h3-4H2,1-2H3,(H,13,18)(H,14,16,17)
InChIKeyNUUQCRGMJRCRBZ-UHFFFAOYSA-N
MW267.21 g/mol
LogP-0.00
Rot. Bonds1

About 2,2-dimethyl-3,5-dioxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

2,2-dimethyl-3,5-dioxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (PubChem CID 113463021) has the molecular formula C9H12F3N3O3 and a molecular weight of 267.21 g/mol. Its IUPAC name is 2,2-dimethyl-3,5-dioxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-3,5-dioxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
PubChem CID113463021
Molecular FormulaC9H12F3N3O3
Molecular Weight267.21 g/mol
Exact Mass267.08
IUPAC Name2,2-dimethyl-3,5-dioxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)NCC(F)(F)F
InChIInChI=1S/C9H12F3N3O3/c1-8(2)6(17)14-5(16)3-15(8)7(18)13-4-9(10,11)12/h3-4H2,1-2H3,(H,13,18)(H,14,16,17)
InChIKeyNUUQCRGMJRCRBZ-UHFFFAOYSA-N
XLogP-0.00
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-2-hydroxybutanoic acid
CID 107840352
3,3-dimethyl-4-[3-(2,2,2-trifluoroethoxy)propanoyl]piperazine-2,6-dione
CID 66073632
2-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-2-methylpropanoic acid
CID 66067482
4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-3,3-dimethylpiperazine-2,6-dione
CID 79810820
2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-2-oxoacetohydrazide
CID 66067870
2-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-3-hydroxypropanoic acid
CID 66076379
methyl 2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-2-oxoacetate
CID 112617395
3,3-dimethyl-4-[3-(propan-2-ylamino)propanoyl]piperazine-2,6-dione
CID 66074617
N-(3,5-dichlorophenyl)-2,2-dimethyl-3,5-dioxopiperazine-1-carboxamide
CID 107653959
3,3-dimethyl-4-(2-propan-2-yloxyacetyl)piperazine-2,6-dione
CID 112603296
3,3-dimethyl-4-(trifluoromethylsulfonyl)piperazine-2,6-dione
CID 66075966
4-but-2-ynoyl-3,3-dimethylpiperazine-2,6-dione
CID 107989921

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3,5-dioxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The IUPAC name of 2,2-dimethyl-3,5-dioxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (CID 113463021) is 2,2-dimethyl-3,5-dioxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-3,5-dioxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-3,5-dioxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is CC1(C)C(=O)NC(=O)CN1C(=O)NCC(F)(F)F.
What is the InChIKey of 2,2-dimethyl-3,5-dioxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The InChIKey is NUUQCRGMJRCRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O3/c1-8(2)6(17)14-5(16)3-15(8)7(18)13-4-9(10,11)12/h3-4H2,1-2H3,(H,13,18)(H,14,16,17).
What are the key properties of 2,2-dimethyl-3,5-dioxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
2,2-dimethyl-3,5-dioxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide has a molecular weight of 267.21 g/mol, XLogP of -0.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3,5-dioxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113463021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).