2-ethoxy-1-(4-thiophen-3-ylpiperidin-1-yl)ethanone

C13H19NO2S — CID 71786947

IUPAC2-ethoxy-1-(4-thiophen-3-ylpiperidin-1-yl)ethanone
SMILESCCOCC(=O)N1CCC(c2ccsc2)CC1
InChIInChI=1S/C13H19NO2S/c1-2-16-9-13(15)14-6-3-11(4-7-14)12-5-8-17-10-12/h5,8,10-11H,2-4,6-7,9H2,1H3
InChIKeyFMQWBJKYTITCGD-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.49
Rot. Bonds4

About 2-ethoxy-1-(4-thiophen-3-ylpiperidin-1-yl)ethanone

2-ethoxy-1-(4-thiophen-3-ylpiperidin-1-yl)ethanone (PubChem CID 71786947) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-ethoxy-1-(4-thiophen-3-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-ethoxy-1-(4-thiophen-3-ylpiperidin-1-yl)ethanone
PubChem CID71786947
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name2-ethoxy-1-(4-thiophen-3-ylpiperidin-1-yl)ethanone
SMILESCCOCC(=O)N1CCC(c2ccsc2)CC1
InChIInChI=1S/C13H19NO2S/c1-2-16-9-13(15)14-6-3-11(4-7-14)12-5-8-17-10-12/h5,8,10-11H,2-4,6-7,9H2,1H3
InChIKeyFMQWBJKYTITCGD-UHFFFAOYSA-N
XLogP2.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-Methoxyacetyl)piperazin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 53522132
2-ethoxy-N-(2-(4-(thiophen-2-yl)piperidin-1-yl)ethyl)acetamide
CID 71787068
1-[(2S)-2-methylmorpholin-4-yl]-2-(thiophen-3-yl)ethan-1-one
CID 40137163
2-ethoxy-N-[2-(thiophen-3-yl)ethyl]acetamide
CID 49670243
tert-Butyl 4-(thiophen-3-yl)piperidine-1-carboxylate
CID 53426264
1-(2-Methylmorpholin-4-yl)-2-thiophen-3-ylethanone
CID 42938372
1-[4-(2,6-Dimethylmorpholine-4-carbonyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 45885895
1-Morpholin-4-yl-3-(2-thiophen-3-ylpropylamino)butan-1-one
CID 75428480
2-ethoxy-N-((4-(thiophen-3-yl)tetrahydro-2H-pyran-4-yl)methyl)acetamide
CID 132450818
2-Methyl-1-morpholin-4-yl-2-thiophen-3-ylpropan-1-one
CID 86244863
[2-(difluoromethyl)-2-methylmorpholin-4-yl]-[(1R,2R)-2-thiophen-3-ylcyclopropyl]methanone
CID 136584452
N,N-dimethyl-2-{4-[3-(3-thienyl)propanoyl]-2-morpholinyl}ethanamine
CID 45207072

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(4-thiophen-3-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-ethoxy-1-(4-thiophen-3-ylpiperidin-1-yl)ethanone (CID 71786947) is 2-ethoxy-1-(4-thiophen-3-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-ethoxy-1-(4-thiophen-3-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-ethoxy-1-(4-thiophen-3-ylpiperidin-1-yl)ethanone is CCOCC(=O)N1CCC(c2ccsc2)CC1.
What is the InChIKey of 2-ethoxy-1-(4-thiophen-3-ylpiperidin-1-yl)ethanone?
The InChIKey is FMQWBJKYTITCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-2-16-9-13(15)14-6-3-11(4-7-14)12-5-8-17-10-12/h5,8,10-11H,2-4,6-7,9H2,1H3.
What are the key properties of 2-ethoxy-1-(4-thiophen-3-ylpiperidin-1-yl)ethanone?
2-ethoxy-1-(4-thiophen-3-ylpiperidin-1-yl)ethanone has a molecular weight of 253.37 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(4-thiophen-3-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 71786947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).