ethyl 4-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperazine-1-carboxylate

C15H22N4O4S — CID 9431083

IUPACethyl 4-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(=O)NC(=O)NCc2cccs2)CC1
InChIInChI=1S/C15H22N4O4S/c1-2-23-15(22)19-7-5-18(6-8-19)11-13(20)17-14(21)16-10-12-4-3-9-24-12/h3-4,9H,2,5-8,10-11H2,1H3,(H2,16,17,20,21)
InChIKeyRFYDVOJYLCFQOI-UHFFFAOYSA-N
MW354.43 g/mol
LogP0.85
Rot. Bonds5

About ethyl 4-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperazine-1-carboxylate

ethyl 4-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperazine-1-carboxylate (PubChem CID 9431083) has the molecular formula C15H22N4O4S and a molecular weight of 354.43 g/mol. Its IUPAC name is ethyl 4-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperazine-1-carboxylate
PubChem CID9431083
Molecular FormulaC15H22N4O4S
Molecular Weight354.43 g/mol
Exact Mass354.14
IUPAC Nameethyl 4-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(=O)NC(=O)NCc2cccs2)CC1
InChIInChI=1S/C15H22N4O4S/c1-2-23-15(22)19-7-5-18(6-8-19)11-13(20)17-14(21)16-10-12-4-3-9-24-12/h3-4,9H,2,5-8,10-11H2,1H3,(H2,16,17,20,21)
InChIKeyRFYDVOJYLCFQOI-UHFFFAOYSA-N
XLogP0.85
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 86928319
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 24507149
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 55498848
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 9248959
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
2-(4-acetyl-1,4-diazepan-1-yl)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 27133290
ethyl 4-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]piperazine-1-carboxylate
CID 8544148
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
ethyl 4-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]piperazine-1-carboxylate
CID 9431041

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperazine-1-carboxylate (CID 9431083) is ethyl 4-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(CC(=O)NC(=O)NCc2cccs2)CC1.
What is the InChIKey of ethyl 4-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperazine-1-carboxylate?
The InChIKey is RFYDVOJYLCFQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4S/c1-2-23-15(22)19-7-5-18(6-8-19)11-13(20)17-14(21)16-10-12-4-3-9-24-12/h3-4,9H,2,5-8,10-11H2,1H3,(H2,16,17,20,21).
What are the key properties of ethyl 4-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperazine-1-carboxylate?
ethyl 4-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperazine-1-carboxylate has a molecular weight of 354.43 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 9431083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).