2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide

C17H26N4O3S — CID 86928319

IUPAC2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
SMILESCC(C)(C)C(=O)N1CCN(CC(=O)NC(=O)NCc2cccs2)CC1
InChIInChI=1S/C17H26N4O3S/c1-17(2,3)15(23)21-8-6-20(7-9-21)12-14(22)19-16(24)18-11-13-5-4-10-25-13/h4-5,10H,6-9,11-12H2,1-3H3,(H2,18,19,22,24)
InChIKeyTYMGTKPLVDZETB-UHFFFAOYSA-N
MW366.49 g/mol
LogP1.26
Rot. Bonds4

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

2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide (PubChem CID 86928319) has the molecular formula C17H26N4O3S and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
PubChem CID86928319
Molecular FormulaC17H26N4O3S
Molecular Weight366.49 g/mol
Exact Mass366.17
IUPAC Name2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
SMILESCC(C)(C)C(=O)N1CCN(CC(=O)NC(=O)NCc2cccs2)CC1
InChIInChI=1S/C17H26N4O3S/c1-17(2,3)15(23)21-8-6-20(7-9-21)12-14(22)19-16(24)18-11-13-5-4-10-25-13/h4-5,10H,6-9,11-12H2,1-3H3,(H2,18,19,22,24)
InChIKeyTYMGTKPLVDZETB-UHFFFAOYSA-N
XLogP1.26
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperazine-1-carboxylate
CID 9431083
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 24507149
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 9248959
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 55498848
2-methyl-N-[1-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperidin-4-yl]propanamide
CID 55739363
2-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 33439918
2-[(3R)-3-methylpiperidin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 9275407
N-(thiophen-2-ylmethylcarbamoyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 26305798
2-(4-acetyl-1,4-diazepan-1-yl)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 27133290
2-(3-hydroxypiperidin-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 47012786
2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid
CID 43521795
2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 55498283

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide (CID 86928319) is 2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide is CC(C)(C)C(=O)N1CCN(CC(=O)NC(=O)NCc2cccs2)CC1.
What is the InChIKey of 2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The InChIKey is TYMGTKPLVDZETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3S/c1-17(2,3)15(23)21-8-6-20(7-9-21)12-14(22)19-16(24)18-11-13-5-4-10-25-13/h4-5,10H,6-9,11-12H2,1-3H3,(H2,18,19,22,24).
What are the key properties of 2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide has a molecular weight of 366.49 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 86928319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).