ethyl 2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]acetate

C14H21NO2S — CID 10849452

IUPACethyl 2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]acetate
SMILESCCOC(=O)CC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C14H21NO2S/c1-2-17-14(16)10-12-5-7-15(8-6-12)11-13-4-3-9-18-13/h3-4,9,12H,2,5-8,10-11H2,1H3
InChIKeyFACZJMMMEQLEAH-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.91
Rot. Bonds5

About ethyl 2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]acetate

ethyl 2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]acetate (PubChem CID 10849452) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is ethyl 2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]acetate
PubChem CID10849452
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Nameethyl 2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]acetate
SMILESCCOC(=O)CC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C14H21NO2S/c1-2-17-14(16)10-12-5-7-15(8-6-12)11-13-4-3-9-18-13/h3-4,9,12H,2,5-8,10-11H2,1H3
InChIKeyFACZJMMMEQLEAH-UHFFFAOYSA-N
XLogP2.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetate
CID 10588916
1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865422
ethyl 4-[N'-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111163658
2-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 119865468
[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl 3-ethoxy-3-iminopropanoate
CID 10267407
(2R)-2-ethoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 95149836
ethyl 2-[1-[2,3-dihydroxy-4-oxo-4-(2-thiophen-2-ylethylamino)butanoyl]piperidin-4-yl]acetate
CID 73069903
1-(thiophen-2-ylmethyl)piperidin-4-amine;dihydrochloride
CID 22748866
(3R)-3-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 94820546
2-amino-2-(4-methylphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 120669950
4-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pentanamide
CID 49056824
N-[4-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]cyclohexyl]acetamide
CID 99633253

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]acetate?
The IUPAC name of ethyl 2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]acetate (CID 10849452) is ethyl 2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]acetate.
What is the SMILES notation for ethyl 2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]acetate?
The canonical SMILES for ethyl 2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]acetate is CCOC(=O)CC1CCN(Cc2cccs2)CC1.
What is the InChIKey of ethyl 2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]acetate?
The InChIKey is FACZJMMMEQLEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-2-17-14(16)10-12-5-7-15(8-6-12)11-13-4-3-9-18-13/h3-4,9,12H,2,5-8,10-11H2,1H3.
What are the key properties of ethyl 2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]acetate?
ethyl 2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]acetate has a molecular weight of 267.39 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]acetate is sourced from PubChem (CID 10849452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).