ethyl 4-oxo-4-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]amino]butanoate

C17H24N2O4S — CID 108565657

IUPACethyl 4-oxo-4-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]amino]butanoate
SMILESCCOC(=O)CCC(=O)NC1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C17H24N2O4S/c1-2-23-17(22)6-5-15(20)18-13-7-9-19(10-8-13)16(21)12-14-4-3-11-24-14/h3-4,11,13H,2,5-10,12H2,1H3,(H,18,20)
InChIKeyXSRJDWAGXDZODO-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.74
Rot. Bonds7

About ethyl 4-oxo-4-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]amino]butanoate

ethyl 4-oxo-4-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]amino]butanoate (PubChem CID 108565657) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is ethyl 4-oxo-4-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]amino]butanoate.

Molecular Properties

Compound Nameethyl 4-oxo-4-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]amino]butanoate
PubChem CID108565657
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Nameethyl 4-oxo-4-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]amino]butanoate
SMILESCCOC(=O)CCC(=O)NC1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C17H24N2O4S/c1-2-23-17(22)6-5-15(20)18-13-7-9-19(10-8-13)16(21)12-14-4-3-11-24-14/h3-4,11,13H,2,5-10,12H2,1H3,(H,18,20)
InChIKeyXSRJDWAGXDZODO-UHFFFAOYSA-N
XLogP1.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-oxo-4-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]amino]butanoate with MolForge

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Related Compounds

4-(4-methylphenyl)-4-oxo-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]butanamide
CID 108552059
2-(4-ethoxyphenyl)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide
CID 108553940
3-phenoxy-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]propanamide
CID 108554925
N-[1-(4-oxopentanoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554283
N-[1-(3-methoxypropanoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554268
2-cyano-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide
CID 108548385
ethyl 4-oxo-4-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]butanoate
CID 108566087
N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554270
1-cyclohexyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea
CID 110820715
5-methyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide
CID 49361441
methyl 4-(3-thiophen-2-ylpropanoylamino)piperidine-1-carboxylate
CID 110821759
2-(4-chlorophenoxy)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide
CID 108554335

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-4-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]amino]butanoate?
The IUPAC name of ethyl 4-oxo-4-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]amino]butanoate (CID 108565657) is ethyl 4-oxo-4-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]amino]butanoate.
What is the SMILES notation for ethyl 4-oxo-4-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]amino]butanoate?
The canonical SMILES for ethyl 4-oxo-4-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]amino]butanoate is CCOC(=O)CCC(=O)NC1CCN(C(=O)Cc2cccs2)CC1.
What is the InChIKey of ethyl 4-oxo-4-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]amino]butanoate?
The InChIKey is XSRJDWAGXDZODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-2-23-17(22)6-5-15(20)18-13-7-9-19(10-8-13)16(21)12-14-4-3-11-24-14/h3-4,11,13H,2,5-10,12H2,1H3,(H,18,20).
What are the key properties of ethyl 4-oxo-4-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]amino]butanoate?
ethyl 4-oxo-4-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]amino]butanoate has a molecular weight of 352.46 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-4-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]amino]butanoate is sourced from PubChem (CID 108565657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).