3-oxo-4-thiophen-2-yl-N-[(2S)-1,1,1-trifluoro-4-methylpentan-2-yl]piperazine-1-carboxamide

C15H20F3N3O2S — CID 166340969

IUPAC3-oxo-4-thiophen-2-yl-N-[(2S)-1,1,1-trifluoro-4-methylpentan-2-yl]piperazine-1-carboxamide
SMILESCC(C)C[C@H](NC(=O)N1CCN(c2cccs2)C(=O)C1)C(F)(F)F
InChIInChI=1S/C15H20F3N3O2S/c1-10(2)8-11(15(16,17)18)19-14(23)20-5-6-21(12(22)9-20)13-4-3-7-24-13/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,19,23)/t11-/m0/s1
InChIKeyOBUAFYARKIXZLC-NSHDSACASA-N
MW363.41 g/mol
LogP3.08
Rot. Bonds4

About 3-oxo-4-thiophen-2-yl-N-[(2S)-1,1,1-trifluoro-4-methylpentan-2-yl]piperazine-1-carboxamide

3-oxo-4-thiophen-2-yl-N-[(2S)-1,1,1-trifluoro-4-methylpentan-2-yl]piperazine-1-carboxamide (PubChem CID 166340969) has the molecular formula C15H20F3N3O2S and a molecular weight of 363.41 g/mol. Its IUPAC name is 3-oxo-4-thiophen-2-yl-N-[(2S)-1,1,1-trifluoro-4-methylpentan-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name3-oxo-4-thiophen-2-yl-N-[(2S)-1,1,1-trifluoro-4-methylpentan-2-yl]piperazine-1-carboxamide
PubChem CID166340969
Molecular FormulaC15H20F3N3O2S
Molecular Weight363.41 g/mol
Exact Mass363.12
IUPAC Name3-oxo-4-thiophen-2-yl-N-[(2S)-1,1,1-trifluoro-4-methylpentan-2-yl]piperazine-1-carboxamide
SMILESCC(C)C[C@H](NC(=O)N1CCN(c2cccs2)C(=O)C1)C(F)(F)F
InChIInChI=1S/C15H20F3N3O2S/c1-10(2)8-11(15(16,17)18)19-14(23)20-5-6-21(12(22)9-20)13-4-3-7-24-13/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,19,23)/t11-/m0/s1
InChIKeyOBUAFYARKIXZLC-NSHDSACASA-N
XLogP3.08
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-oxo-4-thiophen-2-yl-N-[(2S)-1,1,1-trifluoro-4-methylpentan-2-yl]piperazine-1-carboxamide with MolForge

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Related Compounds

(5S)-5-propan-2-yl-3-thiophen-2-ylimidazolidine-2,4-dione
CID 102035528
2-(3-oxo-4-thiophen-2-ylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 86795587
3,4-dimethyl-N-thiophen-2-yl-5-(trifluoromethyl)piperazine-1-carboxamide
CID 108487650
N-methyl-2-[[N'-methyl-N-(1-thiophen-2-ylpiperidin-4-yl)carbamimidoyl]amino]-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 109653292
N-methyl-2-[[N'-methyl-N-(1-thiophen-2-ylpiperidin-4-yl)carbamimidoyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 109653293
2-[[ethylamino-[(1-thiophen-2-ylpiperidin-4-yl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 109653824
2-[[ethylamino-[(1-thiophen-2-ylpiperidin-4-yl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 109653825
2-[[ethylamino-(4-thiophen-2-ylpiperazin-1-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 109719850
2-[[ethylamino-(4-thiophen-2-ylpiperazin-1-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 109719851
4-Thiophen-2-yl-5-(trifluoromethyl)piperazin-2-one
CID 115101438
2-[[N-methyl-C-(4-thiophen-2-ylpiperazin-1-yl)carbonimidoyl]amino]-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 120062342
2-[[N-methyl-C-(4-thiophen-2-ylpiperazin-1-yl)carbonimidoyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 120062343

Frequently Asked Questions

What is the IUPAC name of 3-oxo-4-thiophen-2-yl-N-[(2S)-1,1,1-trifluoro-4-methylpentan-2-yl]piperazine-1-carboxamide?
The IUPAC name of 3-oxo-4-thiophen-2-yl-N-[(2S)-1,1,1-trifluoro-4-methylpentan-2-yl]piperazine-1-carboxamide (CID 166340969) is 3-oxo-4-thiophen-2-yl-N-[(2S)-1,1,1-trifluoro-4-methylpentan-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for 3-oxo-4-thiophen-2-yl-N-[(2S)-1,1,1-trifluoro-4-methylpentan-2-yl]piperazine-1-carboxamide?
The canonical SMILES for 3-oxo-4-thiophen-2-yl-N-[(2S)-1,1,1-trifluoro-4-methylpentan-2-yl]piperazine-1-carboxamide is CC(C)C[C@H](NC(=O)N1CCN(c2cccs2)C(=O)C1)C(F)(F)F.
What is the InChIKey of 3-oxo-4-thiophen-2-yl-N-[(2S)-1,1,1-trifluoro-4-methylpentan-2-yl]piperazine-1-carboxamide?
The InChIKey is OBUAFYARKIXZLC-NSHDSACASA-N. The full InChI is InChI=1S/C15H20F3N3O2S/c1-10(2)8-11(15(16,17)18)19-14(23)20-5-6-21(12(22)9-20)13-4-3-7-24-13/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,19,23)/t11-/m0/s1.
What are the key properties of 3-oxo-4-thiophen-2-yl-N-[(2S)-1,1,1-trifluoro-4-methylpentan-2-yl]piperazine-1-carboxamide?
3-oxo-4-thiophen-2-yl-N-[(2S)-1,1,1-trifluoro-4-methylpentan-2-yl]piperazine-1-carboxamide has a molecular weight of 363.41 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-4-thiophen-2-yl-N-[(2S)-1,1,1-trifluoro-4-methylpentan-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 166340969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).