2-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide

C15H21F3N4O2S — CID 75394313

IUPAC2-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
SMILESCC1CN(CC(=O)NC(=O)NCc2cccs2)CCN1CC(F)(F)F
InChIInChI=1S/C15H21F3N4O2S/c1-11-8-21(4-5-22(11)10-15(16,17)18)9-13(23)20-14(24)19-7-12-3-2-6-25-12/h2-3,6,11H,4-5,7-10H2,1H3,(H2,19,20,23,24)
InChIKeyHVSFHCFVKGXLLQ-UHFFFAOYSA-N
MW378.42 g/mol
LogP1.64
Rot. Bonds5

About 2-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide

2-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide (PubChem CID 75394313) has the molecular formula C15H21F3N4O2S and a molecular weight of 378.42 g/mol. Its IUPAC name is 2-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
PubChem CID75394313
Molecular FormulaC15H21F3N4O2S
Molecular Weight378.42 g/mol
Exact Mass378.13
IUPAC Name2-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
SMILESCC1CN(CC(=O)NC(=O)NCc2cccs2)CCN1CC(F)(F)F
InChIInChI=1S/C15H21F3N4O2S/c1-11-8-21(4-5-22(11)10-15(16,17)18)9-13(23)20-14(24)19-7-12-3-2-6-25-12/h2-3,6,11H,4-5,7-10H2,1H3,(H2,19,20,23,24)
InChIKeyHVSFHCFVKGXLLQ-UHFFFAOYSA-N
XLogP1.64
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide (CID 75394313) is 2-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide is CC1CN(CC(=O)NC(=O)NCc2cccs2)CCN1CC(F)(F)F.
What is the InChIKey of 2-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The InChIKey is HVSFHCFVKGXLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O2S/c1-11-8-21(4-5-22(11)10-15(16,17)18)9-13(23)20-14(24)19-7-12-3-2-6-25-12/h2-3,6,11H,4-5,7-10H2,1H3,(H2,19,20,23,24).
What are the key properties of 2-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
2-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide has a molecular weight of 378.42 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 75394313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).