4-thiophen-2-yl-5-(trifluoromethyl)piperazin-2-one

C9H9F3N2OS — CID 115101438

IUPAC4-thiophen-2-yl-5-(trifluoromethyl)piperazin-2-one
SMILESO=C1CN(c2cccs2)C(C(F)(F)F)CN1
InChIInChI=1S/C9H9F3N2OS/c10-9(11,12)6-4-13-7(15)5-14(6)8-2-1-3-16-8/h1-3,6H,4-5H2,(H,13,15)
InChIKeyPZXHLUCIKWKCEA-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.62
Rot. Bonds1

About 4-thiophen-2-yl-5-(trifluoromethyl)piperazin-2-one

4-thiophen-2-yl-5-(trifluoromethyl)piperazin-2-one (PubChem CID 115101438) has the molecular formula C9H9F3N2OS and a molecular weight of 250.25 g/mol. Its IUPAC name is 4-thiophen-2-yl-5-(trifluoromethyl)piperazin-2-one.

Molecular Properties

Compound Name4-thiophen-2-yl-5-(trifluoromethyl)piperazin-2-one
PubChem CID115101438
Molecular FormulaC9H9F3N2OS
Molecular Weight250.25 g/mol
Exact Mass250.04
IUPAC Name4-thiophen-2-yl-5-(trifluoromethyl)piperazin-2-one
SMILESO=C1CN(c2cccs2)C(C(F)(F)F)CN1
InChIInChI=1S/C9H9F3N2OS/c10-9(11,12)6-4-13-7(15)5-14(6)8-2-1-3-16-8/h1-3,6H,4-5H2,(H,13,15)
InChIKeyPZXHLUCIKWKCEA-UHFFFAOYSA-N
XLogP1.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-Sulfanylpropanoyl)-1-thiophen-2-ylpiperazin-2-one
CID 177681166
1-Thiophen-2-yl-3-(trifluoromethyl)piperazine
CID 140325952
N-(2-piperidin-1-ylpropyl)-N-thiophen-2-ylpropanamide
CID 3031145
N-(1-piperidin-1-ylpropan-2-yl)-N-thiophen-2-ylpropanamide
CID 3062548
2-(thiophen-3-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 66353029
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
CID 109653825
2-[[ethylamino-(4-thiophen-2-ylpiperazin-1-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 109719851
1-Thiophen-2-yl-2-(trifluoromethyl)piperazine
CID 115101316

Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yl-5-(trifluoromethyl)piperazin-2-one?
The IUPAC name of 4-thiophen-2-yl-5-(trifluoromethyl)piperazin-2-one (CID 115101438) is 4-thiophen-2-yl-5-(trifluoromethyl)piperazin-2-one.
What is the SMILES notation for 4-thiophen-2-yl-5-(trifluoromethyl)piperazin-2-one?
The canonical SMILES for 4-thiophen-2-yl-5-(trifluoromethyl)piperazin-2-one is O=C1CN(c2cccs2)C(C(F)(F)F)CN1.
What is the InChIKey of 4-thiophen-2-yl-5-(trifluoromethyl)piperazin-2-one?
The InChIKey is PZXHLUCIKWKCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2OS/c10-9(11,12)6-4-13-7(15)5-14(6)8-2-1-3-16-8/h1-3,6H,4-5H2,(H,13,15).
What are the key properties of 4-thiophen-2-yl-5-(trifluoromethyl)piperazin-2-one?
4-thiophen-2-yl-5-(trifluoromethyl)piperazin-2-one has a molecular weight of 250.25 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yl-5-(trifluoromethyl)piperazin-2-one is sourced from PubChem (CID 115101438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).