ethyl 1-[2-(2-thiophen-3-ylacetyl)oxyacetyl]piperidine-4-carboxylate

C16H21NO5S — CID 2334424

IUPACethyl 1-[2-(2-thiophen-3-ylacetyl)oxyacetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COC(=O)Cc2ccsc2)CC1
InChIInChI=1S/C16H21NO5S/c1-2-21-16(20)13-3-6-17(7-4-13)14(18)10-22-15(19)9-12-5-8-23-11-12/h5,8,11,13H,2-4,6-7,9-10H2,1H3
InChIKeyQWKGSJZZKOLXMH-UHFFFAOYSA-N
MW339.41 g/mol
LogP1.64
Rot. Bonds6

About ethyl 1-[2-(2-thiophen-3-ylacetyl)oxyacetyl]piperidine-4-carboxylate

ethyl 1-[2-(2-thiophen-3-ylacetyl)oxyacetyl]piperidine-4-carboxylate (PubChem CID 2334424) has the molecular formula C16H21NO5S and a molecular weight of 339.41 g/mol. Its IUPAC name is ethyl 1-[2-(2-thiophen-3-ylacetyl)oxyacetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2-thiophen-3-ylacetyl)oxyacetyl]piperidine-4-carboxylate
PubChem CID2334424
Molecular FormulaC16H21NO5S
Molecular Weight339.41 g/mol
Exact Mass339.11
IUPAC Nameethyl 1-[2-(2-thiophen-3-ylacetyl)oxyacetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COC(=O)Cc2ccsc2)CC1
InChIInChI=1S/C16H21NO5S/c1-2-21-16(20)13-3-6-17(7-4-13)14(18)10-22-15(19)9-12-5-8-23-11-12/h5,8,11,13H,2-4,6-7,9-10H2,1H3
InChIKeyQWKGSJZZKOLXMH-UHFFFAOYSA-N
XLogP1.64
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[2-(2-thiophen-3-ylacetyl)oxyacetyl]piperidine-4-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2-thiophen-3-ylacetyl)oxyacetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(2-thiophen-3-ylacetyl)oxyacetyl]piperidine-4-carboxylate (CID 2334424) is ethyl 1-[2-(2-thiophen-3-ylacetyl)oxyacetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2-thiophen-3-ylacetyl)oxyacetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(2-thiophen-3-ylacetyl)oxyacetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)COC(=O)Cc2ccsc2)CC1.
What is the InChIKey of ethyl 1-[2-(2-thiophen-3-ylacetyl)oxyacetyl]piperidine-4-carboxylate?
The InChIKey is QWKGSJZZKOLXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5S/c1-2-21-16(20)13-3-6-17(7-4-13)14(18)10-22-15(19)9-12-5-8-23-11-12/h5,8,11,13H,2-4,6-7,9-10H2,1H3.
What are the key properties of ethyl 1-[2-(2-thiophen-3-ylacetyl)oxyacetyl]piperidine-4-carboxylate?
ethyl 1-[2-(2-thiophen-3-ylacetyl)oxyacetyl]piperidine-4-carboxylate has a molecular weight of 339.41 g/mol, XLogP of 1.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2-thiophen-3-ylacetyl)oxyacetyl]piperidine-4-carboxylate is sourced from PubChem (CID 2334424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).