ethyl 1-(2-thiophen-3-ylacetyl)piperidine-3-carboxylate

C14H19NO3S — CID 43404472

IUPACethyl 1-(2-thiophen-3-ylacetyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)Cc2ccsc2)C1
InChIInChI=1S/C14H19NO3S/c1-2-18-14(17)12-4-3-6-15(9-12)13(16)8-11-5-7-19-10-11/h5,7,10,12H,2-4,6,8-9H2,1H3
InChIKeyAPUPEGQIACOHOT-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.09
Rot. Bonds4

About ethyl 1-(2-thiophen-3-ylacetyl)piperidine-3-carboxylate

ethyl 1-(2-thiophen-3-ylacetyl)piperidine-3-carboxylate (PubChem CID 43404472) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is ethyl 1-(2-thiophen-3-ylacetyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-thiophen-3-ylacetyl)piperidine-3-carboxylate
PubChem CID43404472
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Nameethyl 1-(2-thiophen-3-ylacetyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)Cc2ccsc2)C1
InChIInChI=1S/C14H19NO3S/c1-2-18-14(17)12-4-3-6-15(9-12)13(16)8-11-5-7-19-10-11/h5,7,10,12H,2-4,6,8-9H2,1H3
InChIKeyAPUPEGQIACOHOT-UHFFFAOYSA-N
XLogP2.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-thiophen-3-ylacetyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(2-thiophen-3-ylacetyl)piperidine-3-carboxylate (CID 43404472) is ethyl 1-(2-thiophen-3-ylacetyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2-thiophen-3-ylacetyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2-thiophen-3-ylacetyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)Cc2ccsc2)C1.
What is the InChIKey of ethyl 1-(2-thiophen-3-ylacetyl)piperidine-3-carboxylate?
The InChIKey is APUPEGQIACOHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-2-18-14(17)12-4-3-6-15(9-12)13(16)8-11-5-7-19-10-11/h5,7,10,12H,2-4,6,8-9H2,1H3.
What are the key properties of ethyl 1-(2-thiophen-3-ylacetyl)piperidine-3-carboxylate?
ethyl 1-(2-thiophen-3-ylacetyl)piperidine-3-carboxylate has a molecular weight of 281.38 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-thiophen-3-ylacetyl)piperidine-3-carboxylate is sourced from PubChem (CID 43404472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).