2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide

C14H19F3N4O2S — CID 8834853

IUPAC2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESO=C(CN1CCN(Cc2cccs2)CC1)NC(=O)NCC(F)(F)F
InChIInChI=1S/C14H19F3N4O2S/c15-14(16,17)10-18-13(23)19-12(22)9-21-5-3-20(4-6-21)8-11-2-1-7-24-11/h1-2,7H,3-6,8-10H2,(H2,18,19,22,23)
InChIKeyXBAHUOFBHHRBBG-UHFFFAOYSA-N
MW364.39 g/mol
LogP1.25
Rot. Bonds5

About 2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide

2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (PubChem CID 8834853) has the molecular formula C14H19F3N4O2S and a molecular weight of 364.39 g/mol. Its IUPAC name is 2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
PubChem CID8834853
Molecular FormulaC14H19F3N4O2S
Molecular Weight364.39 g/mol
Exact Mass364.12
IUPAC Name2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESO=C(CN1CCN(Cc2cccs2)CC1)NC(=O)NCC(F)(F)F
InChIInChI=1S/C14H19F3N4O2S/c15-14(16,17)10-18-13(23)19-12(22)9-21-5-3-20(4-6-21)8-11-2-1-7-24-11/h1-2,7H,3-6,8-10H2,(H2,18,19,22,23)
InChIKeyXBAHUOFBHHRBBG-UHFFFAOYSA-N
XLogP1.25
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The IUPAC name of 2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (CID 8834853) is 2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is O=C(CN1CCN(Cc2cccs2)CC1)NC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The InChIKey is XBAHUOFBHHRBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O2S/c15-14(16,17)10-18-13(23)19-12(22)9-21-5-3-20(4-6-21)8-11-2-1-7-24-11/h1-2,7H,3-6,8-10H2,(H2,18,19,22,23).
What are the key properties of 2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide has a molecular weight of 364.39 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is sourced from PubChem (CID 8834853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).