4-(2-oxo-2-piperidin-1-ylethyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide

C18H28N4O2S — CID 86912732

IUPAC4-(2-oxo-2-piperidin-1-ylethyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
SMILESO=C(CN1CCN(C(=O)NCCc2cccs2)CC1)N1CCCCC1
InChIInChI=1S/C18H28N4O2S/c23-17(21-8-2-1-3-9-21)15-20-10-12-22(13-11-20)18(24)19-7-6-16-5-4-14-25-16/h4-5,14H,1-3,6-13,15H2,(H,19,24)
InChIKeyPGKARMVHSFZCLW-UHFFFAOYSA-N
MW364.52 g/mol
LogP1.63
Rot. Bonds5

About 4-(2-oxo-2-piperidin-1-ylethyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide

4-(2-oxo-2-piperidin-1-ylethyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide (PubChem CID 86912732) has the molecular formula C18H28N4O2S and a molecular weight of 364.52 g/mol. Its IUPAC name is 4-(2-oxo-2-piperidin-1-ylethyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-oxo-2-piperidin-1-ylethyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
PubChem CID86912732
Molecular FormulaC18H28N4O2S
Molecular Weight364.52 g/mol
Exact Mass364.19
IUPAC Name4-(2-oxo-2-piperidin-1-ylethyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
SMILESO=C(CN1CCN(C(=O)NCCc2cccs2)CC1)N1CCCCC1
InChIInChI=1S/C18H28N4O2S/c23-17(21-8-2-1-3-9-21)15-20-10-12-22(13-11-20)18(24)19-7-6-16-5-4-14-25-16/h4-5,14H,1-3,6-13,15H2,(H,19,24)
InChIKeyPGKARMVHSFZCLW-UHFFFAOYSA-N
XLogP1.63
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-oxo-2-piperidin-1-ylethyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide with MolForge

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Related Compounds

4-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(2-thiophen-2-ylethyl)-1,4-diazepane-1-carboxamide
CID 4521959
1-(azepan-1-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 78808495
3-[4-(2-thiophen-2-ylethylcarbamoyl)piperazin-1-yl]propanoic acid
CID 61190024
N,N-dimethyl-2-[[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-(2-thiophen-2-ylethylamino)methylidene]amino]acetamide;hydroiodide
CID 110038196
2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 30415975
4-(thiophene-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 121496273
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 18088940
(2S)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 30740454
4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(2-thiophen-2-ylethyl)-1,4-diazepane-1-carboxamide
CID 3834876
2-(4-acetyl-1,4-diazepan-1-yl)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 27133290
2-(2-oxo-2-pyrrolidin-1-ylethyl)-1-(2-thiophen-2-ylethyl)guanidine
CID 111040264
4-(furan-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 3830233

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-2-piperidin-1-ylethyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-oxo-2-piperidin-1-ylethyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide (CID 86912732) is 4-(2-oxo-2-piperidin-1-ylethyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-oxo-2-piperidin-1-ylethyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-oxo-2-piperidin-1-ylethyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide is O=C(CN1CCN(C(=O)NCCc2cccs2)CC1)N1CCCCC1.
What is the InChIKey of 4-(2-oxo-2-piperidin-1-ylethyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide?
The InChIKey is PGKARMVHSFZCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2S/c23-17(21-8-2-1-3-9-21)15-20-10-12-22(13-11-20)18(24)19-7-6-16-5-4-14-25-16/h4-5,14H,1-3,6-13,15H2,(H,19,24).
What are the key properties of 4-(2-oxo-2-piperidin-1-ylethyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide?
4-(2-oxo-2-piperidin-1-ylethyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide has a molecular weight of 364.52 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-2-piperidin-1-ylethyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 86912732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).