ethyl 3-(5-ethylthiophen-2-yl)-3-piperidin-1-ylpropanoate

C16H25NO2S — CID 64541181

IUPACethyl 3-(5-ethylthiophen-2-yl)-3-piperidin-1-ylpropanoate
SMILESCCOC(=O)CC(c1ccc(CC)s1)N1CCCCC1
InChIInChI=1S/C16H25NO2S/c1-3-13-8-9-15(20-13)14(12-16(18)19-4-2)17-10-6-5-7-11-17/h8-9,14H,3-7,10-12H2,1-2H3
InChIKeyTYYBBBXHYPIFJA-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.79
Rot. Bonds6

About ethyl 3-(5-ethylthiophen-2-yl)-3-piperidin-1-ylpropanoate

ethyl 3-(5-ethylthiophen-2-yl)-3-piperidin-1-ylpropanoate (PubChem CID 64541181) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is ethyl 3-(5-ethylthiophen-2-yl)-3-piperidin-1-ylpropanoate.

Molecular Properties

Compound Nameethyl 3-(5-ethylthiophen-2-yl)-3-piperidin-1-ylpropanoate
PubChem CID64541181
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Nameethyl 3-(5-ethylthiophen-2-yl)-3-piperidin-1-ylpropanoate
SMILESCCOC(=O)CC(c1ccc(CC)s1)N1CCCCC1
InChIInChI=1S/C16H25NO2S/c1-3-13-8-9-15(20-13)14(12-16(18)19-4-2)17-10-6-5-7-11-17/h8-9,14H,3-7,10-12H2,1-2H3
InChIKeyTYYBBBXHYPIFJA-UHFFFAOYSA-N
XLogP3.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(5-ethylthiophen-2-yl)-3-piperidin-1-ylpropanoate?
The IUPAC name of ethyl 3-(5-ethylthiophen-2-yl)-3-piperidin-1-ylpropanoate (CID 64541181) is ethyl 3-(5-ethylthiophen-2-yl)-3-piperidin-1-ylpropanoate.
What is the SMILES notation for ethyl 3-(5-ethylthiophen-2-yl)-3-piperidin-1-ylpropanoate?
The canonical SMILES for ethyl 3-(5-ethylthiophen-2-yl)-3-piperidin-1-ylpropanoate is CCOC(=O)CC(c1ccc(CC)s1)N1CCCCC1.
What is the InChIKey of ethyl 3-(5-ethylthiophen-2-yl)-3-piperidin-1-ylpropanoate?
The InChIKey is TYYBBBXHYPIFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-3-13-8-9-15(20-13)14(12-16(18)19-4-2)17-10-6-5-7-11-17/h8-9,14H,3-7,10-12H2,1-2H3.
What are the key properties of ethyl 3-(5-ethylthiophen-2-yl)-3-piperidin-1-ylpropanoate?
ethyl 3-(5-ethylthiophen-2-yl)-3-piperidin-1-ylpropanoate has a molecular weight of 295.45 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(5-ethylthiophen-2-yl)-3-piperidin-1-ylpropanoate is sourced from PubChem (CID 64541181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).