ethyl 4-methyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxylate

C15H21NO3S — CID 18760279

IUPACethyl 4-methyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CN(C(=O)Cc2cccs2)CCC1C
InChIInChI=1S/C15H21NO3S/c1-3-19-15(18)13-10-16(7-6-11(13)2)14(17)9-12-5-4-8-20-12/h4-5,8,11,13H,3,6-7,9-10H2,1-2H3
InChIKeyJEEXLEHBMBHBTK-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.34
Rot. Bonds4

About ethyl 4-methyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxylate

ethyl 4-methyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxylate (PubChem CID 18760279) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is ethyl 4-methyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxylate
PubChem CID18760279
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Nameethyl 4-methyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CN(C(=O)Cc2cccs2)CCC1C
InChIInChI=1S/C15H21NO3S/c1-3-19-15(18)13-10-16(7-6-11(13)2)14(17)9-12-5-4-8-20-12/h4-5,8,11,13H,3,6-7,9-10H2,1-2H3
InChIKeyJEEXLEHBMBHBTK-UHFFFAOYSA-N
XLogP2.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 4-methyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxylate (CID 18760279) is ethyl 4-methyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 4-methyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 4-methyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxylate is CCOC(=O)C1CN(C(=O)Cc2cccs2)CCC1C.
What is the InChIKey of ethyl 4-methyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxylate?
The InChIKey is JEEXLEHBMBHBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-3-19-15(18)13-10-16(7-6-11(13)2)14(17)9-12-5-4-8-20-12/h4-5,8,11,13H,3,6-7,9-10H2,1-2H3.
What are the key properties of ethyl 4-methyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxylate?
ethyl 4-methyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxylate has a molecular weight of 295.40 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxylate is sourced from PubChem (CID 18760279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).