ethyl (2S)-2-piperidin-1-yl-2-thiophen-2-ylacetate

C13H19NO2S — CID 97355402

IUPACethyl (2S)-2-piperidin-1-yl-2-thiophen-2-ylacetate
SMILESCCOC(=O)[C@@H](c1cccs1)N1CCCCC1
InChIInChI=1S/C13H19NO2S/c1-2-16-13(15)12(11-7-6-10-17-11)14-8-4-3-5-9-14/h6-7,10,12H,2-5,8-9H2,1H3/t12-/m1/s1
InChIKeyZLMIKLPZWQLJDK-GFCCVEGCSA-N
MW253.37 g/mol
LogP2.84
Rot. Bonds4

About ethyl (2S)-2-piperidin-1-yl-2-thiophen-2-ylacetate

ethyl (2S)-2-piperidin-1-yl-2-thiophen-2-ylacetate (PubChem CID 97355402) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is ethyl (2S)-2-piperidin-1-yl-2-thiophen-2-ylacetate.

Molecular Properties

Compound Nameethyl (2S)-2-piperidin-1-yl-2-thiophen-2-ylacetate
PubChem CID97355402
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Nameethyl (2S)-2-piperidin-1-yl-2-thiophen-2-ylacetate
SMILESCCOC(=O)[C@@H](c1cccs1)N1CCCCC1
InChIInChI=1S/C13H19NO2S/c1-2-16-13(15)12(11-7-6-10-17-11)14-8-4-3-5-9-14/h6-7,10,12H,2-5,8-9H2,1H3/t12-/m1/s1
InChIKeyZLMIKLPZWQLJDK-GFCCVEGCSA-N
XLogP2.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S)-2-(2-bromophenyl)-2-piperidin-1-ylacetate
CID 97355525
ethyl 2-(3-methylphenyl)-2-piperidin-1-ylacetate
CID 154339039
ethyl (2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylacetate
CID 162420045
methyl 2-piperazin-1-yl-2-thiophen-2-ylacetate
CID 61347523
propyl (2S)-2-phenyl-2-piperidin-1-ylacetate
CID 97355368
ethyl 2-(4-methyl-1,4-diazepan-1-yl)-2-phenylacetate
CID 103600878
ethyl 2-fluoro-2-piperidin-1-ylacetate
CID 174307802
ethyl 4-(2-amino-2-thiophen-2-ylacetyl)piperazine-1-carboxylate
CID 115286815
1-(3-methylthiophen-2-yl)-1-piperidin-1-ylpropan-2-one
CID 116860088
4-pyrrolidin-1-yl-4-thiophen-2-ylbutan-2-one;hydrochloride
CID 67780498
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]propanamide;hydrochloride
CID 52984652
ethyl 4-[N'-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111162567

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-piperidin-1-yl-2-thiophen-2-ylacetate?
The IUPAC name of ethyl (2S)-2-piperidin-1-yl-2-thiophen-2-ylacetate (CID 97355402) is ethyl (2S)-2-piperidin-1-yl-2-thiophen-2-ylacetate.
What is the SMILES notation for ethyl (2S)-2-piperidin-1-yl-2-thiophen-2-ylacetate?
The canonical SMILES for ethyl (2S)-2-piperidin-1-yl-2-thiophen-2-ylacetate is CCOC(=O)[C@@H](c1cccs1)N1CCCCC1.
What is the InChIKey of ethyl (2S)-2-piperidin-1-yl-2-thiophen-2-ylacetate?
The InChIKey is ZLMIKLPZWQLJDK-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-2-16-13(15)12(11-7-6-10-17-11)14-8-4-3-5-9-14/h6-7,10,12H,2-5,8-9H2,1H3/t12-/m1/s1.
What are the key properties of ethyl (2S)-2-piperidin-1-yl-2-thiophen-2-ylacetate?
ethyl (2S)-2-piperidin-1-yl-2-thiophen-2-ylacetate has a molecular weight of 253.37 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-piperidin-1-yl-2-thiophen-2-ylacetate is sourced from PubChem (CID 97355402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).