ethyl 2,6-dioxo-1-pentyl-4-thiophen-3-ylpiperidine-3-carboxylate

C17H23NO4S — CID 23184324

IUPACethyl 2,6-dioxo-1-pentyl-4-thiophen-3-ylpiperidine-3-carboxylate
SMILESCCCCCN1C(=O)CC(c2ccsc2)C(C(=O)OCC)C1=O
InChIInChI=1S/C17H23NO4S/c1-3-5-6-8-18-14(19)10-13(12-7-9-23-11-12)15(16(18)20)17(21)22-4-2/h7,9,11,13,15H,3-6,8,10H2,1-2H3
InChIKeyWLWWRXBOUGYVEE-UHFFFAOYSA-N
MW337.44 g/mol
LogP2.96
Rot. Bonds7

About ethyl 2,6-dioxo-1-pentyl-4-thiophen-3-ylpiperidine-3-carboxylate

ethyl 2,6-dioxo-1-pentyl-4-thiophen-3-ylpiperidine-3-carboxylate (PubChem CID 23184324) has the molecular formula C17H23NO4S and a molecular weight of 337.44 g/mol. Its IUPAC name is ethyl 2,6-dioxo-1-pentyl-4-thiophen-3-ylpiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,6-dioxo-1-pentyl-4-thiophen-3-ylpiperidine-3-carboxylate
PubChem CID23184324
Molecular FormulaC17H23NO4S
Molecular Weight337.44 g/mol
Exact Mass337.13
IUPAC Nameethyl 2,6-dioxo-1-pentyl-4-thiophen-3-ylpiperidine-3-carboxylate
SMILESCCCCCN1C(=O)CC(c2ccsc2)C(C(=O)OCC)C1=O
InChIInChI=1S/C17H23NO4S/c1-3-5-6-8-18-14(19)10-13(12-7-9-23-11-12)15(16(18)20)17(21)22-4-2/h7,9,11,13,15H,3-6,8,10H2,1-2H3
InChIKeyWLWWRXBOUGYVEE-UHFFFAOYSA-N
XLogP2.96
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze ethyl 2,6-dioxo-1-pentyl-4-thiophen-3-ylpiperidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 6-(2-(thiophen-3-yl)acetyl)-6-azaspiro[2.5]octane-1-carboxylate
CID 121021108
Ethyl 1-(2-thiopheneacetyl)-4-methyl-3-piperidinecarboxylate
CID 18760279
Ethyl 1-butyl-2,6-dioxo-4-thiophen-2-ylpiperidine-3-carboxylate
CID 23184323
Ethyl 2,6-dioxo-1-pentyl-4-thiophen-2-ylpiperidine-3-carboxylate
CID 23184325
Ethyl 1-(2-methylbutyl)-2,6-dioxo-4-thiophen-3-ylpiperidine-3-carboxylate
CID 23184326
Ethyl 4-(2,6-dioxo-4-thiophen-3-ylpiperidin-1-yl)-2,3-dimethylbutanoate
CID 67899888
Ethyl 4-(2,6-dioxo-4-thiophen-3-ylpiperidin-1-yl)-2-ethylbutanoate
CID 67900163
Ethyl 1-(2-thiophen-3-ylacetyl)piperidine-3-carboxylate
CID 43404472
Ethyl 1-(3-thiophen-3-ylpropanoyl)piperidine-3-carboxylate
CID 45795502
Ethyl 1-(3-thiophen-3-ylpropanoyl)piperidine-4-carboxylate
CID 45843217
Ethyl 1-(2-thiophen-3-ylethyl)piperidine-3-carboxylate
CID 64086026
3-(3-Methoxypropyl)-1-[3-(3-thienyl)propanoyl]piperidine-3-carboxylic acid
CID 70743046

Frequently Asked Questions

What is the IUPAC name of ethyl 2,6-dioxo-1-pentyl-4-thiophen-3-ylpiperidine-3-carboxylate?
The IUPAC name of ethyl 2,6-dioxo-1-pentyl-4-thiophen-3-ylpiperidine-3-carboxylate (CID 23184324) is ethyl 2,6-dioxo-1-pentyl-4-thiophen-3-ylpiperidine-3-carboxylate.
What is the SMILES notation for ethyl 2,6-dioxo-1-pentyl-4-thiophen-3-ylpiperidine-3-carboxylate?
The canonical SMILES for ethyl 2,6-dioxo-1-pentyl-4-thiophen-3-ylpiperidine-3-carboxylate is CCCCCN1C(=O)CC(c2ccsc2)C(C(=O)OCC)C1=O.
What is the InChIKey of ethyl 2,6-dioxo-1-pentyl-4-thiophen-3-ylpiperidine-3-carboxylate?
The InChIKey is WLWWRXBOUGYVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4S/c1-3-5-6-8-18-14(19)10-13(12-7-9-23-11-12)15(16(18)20)17(21)22-4-2/h7,9,11,13,15H,3-6,8,10H2,1-2H3.
What are the key properties of ethyl 2,6-dioxo-1-pentyl-4-thiophen-3-ylpiperidine-3-carboxylate?
ethyl 2,6-dioxo-1-pentyl-4-thiophen-3-ylpiperidine-3-carboxylate has a molecular weight of 337.44 g/mol, XLogP of 2.96, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,6-dioxo-1-pentyl-4-thiophen-3-ylpiperidine-3-carboxylate is sourced from PubChem (CID 23184324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).