2-methyl-N-[1-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperidin-4-yl]propanamide

C17H26N4O3S — CID 55739363

IUPAC2-methyl-N-[1-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperidin-4-yl]propanamide
SMILESCC(C)C(=O)NC1CCN(CC(=O)NC(=O)NCc2cccs2)CC1
InChIInChI=1S/C17H26N4O3S/c1-12(2)16(23)19-13-5-7-21(8-6-13)11-15(22)20-17(24)18-10-14-4-3-9-25-14/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,19,23)(H2,18,20,22,24)
InChIKeyUXFHQOGFSDSUTO-UHFFFAOYSA-N
MW366.49 g/mol
LogP1.31
Rot. Bonds6

About 2-methyl-N-[1-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperidin-4-yl]propanamide

2-methyl-N-[1-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperidin-4-yl]propanamide (PubChem CID 55739363) has the molecular formula C17H26N4O3S and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-methyl-N-[1-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperidin-4-yl]propanamide
PubChem CID55739363
Molecular FormulaC17H26N4O3S
Molecular Weight366.49 g/mol
Exact Mass366.17
IUPAC Name2-methyl-N-[1-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperidin-4-yl]propanamide
SMILESCC(C)C(=O)NC1CCN(CC(=O)NC(=O)NCc2cccs2)CC1
InChIInChI=1S/C17H26N4O3S/c1-12(2)16(23)19-13-5-7-21(8-6-13)11-15(22)20-17(24)18-10-14-4-3-9-25-14/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,19,23)(H2,18,20,22,24)
InChIKeyUXFHQOGFSDSUTO-UHFFFAOYSA-N
XLogP1.31
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 9248959
2-[(3R)-3-methylpiperidin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 9275407
2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 86928319
ethyl 4-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperazine-1-carboxylate
CID 9431083
2-(3-hydroxypiperidin-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 47012786
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 24507149
2-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 33439918
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 55498848
1-(1-methylsulfonylpiperidin-4-yl)-3-(thiophen-2-ylmethyl)urea
CID 36509584
N-cyclopropyl-2-oxo-2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetamide
CID 55735282
N-[1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide
CID 47548206
2-[4-(fluoromethyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 171701259

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperidin-4-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperidin-4-yl]propanamide (CID 55739363) is 2-methyl-N-[1-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperidin-4-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperidin-4-yl]propanamide is CC(C)C(=O)NC1CCN(CC(=O)NC(=O)NCc2cccs2)CC1.
What is the InChIKey of 2-methyl-N-[1-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperidin-4-yl]propanamide?
The InChIKey is UXFHQOGFSDSUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3S/c1-12(2)16(23)19-13-5-7-21(8-6-13)11-15(22)20-17(24)18-10-14-4-3-9-25-14/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,19,23)(H2,18,20,22,24).
What are the key properties of 2-methyl-N-[1-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperidin-4-yl]propanamide?
2-methyl-N-[1-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperidin-4-yl]propanamide has a molecular weight of 366.49 g/mol, XLogP of 1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 55739363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).