2-thiophen-2-ylethyl 2-methyl-2-piperidin-3-ylpropanoate

C15H23NO2S — CID 83197142

IUPAC2-thiophen-2-ylethyl 2-methyl-2-piperidin-3-ylpropanoate
SMILESCC(C)(C(=O)OCCc1cccs1)C1CCCNC1
InChIInChI=1S/C15H23NO2S/c1-15(2,12-5-3-8-16-11-12)14(17)18-9-7-13-6-4-10-19-13/h4,6,10,12,16H,3,5,7-9,11H2,1-2H3
InChIKeyLRLGLAXNVUQRSM-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.86
Rot. Bonds5

About 2-thiophen-2-ylethyl 2-methyl-2-piperidin-3-ylpropanoate

2-thiophen-2-ylethyl 2-methyl-2-piperidin-3-ylpropanoate (PubChem CID 83197142) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-thiophen-2-ylethyl 2-methyl-2-piperidin-3-ylpropanoate.

Molecular Properties

Compound Name2-thiophen-2-ylethyl 2-methyl-2-piperidin-3-ylpropanoate
PubChem CID83197142
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name2-thiophen-2-ylethyl 2-methyl-2-piperidin-3-ylpropanoate
SMILESCC(C)(C(=O)OCCc1cccs1)C1CCCNC1
InChIInChI=1S/C15H23NO2S/c1-15(2,12-5-3-8-16-11-12)14(17)18-9-7-13-6-4-10-19-13/h4,6,10,12,16H,3,5,7-9,11H2,1-2H3
InChIKeyLRLGLAXNVUQRSM-UHFFFAOYSA-N
XLogP2.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-piperidin-3-yl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 83199653
oxan-4-ylmethyl 2-methyl-2-piperidin-3-ylpropanoate
CID 83197371
N-methyl-N-piperidin-3-yl-4-thiophen-2-ylbutanamide
CID 63642993
5-(2-piperidin-3-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 83197748
N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide;hydrochloride
CID 119270431
3-(2-thiophen-2-ylethoxy)pyrrolidine
CID 62327416
butyl 2-methyl-2-pyrrolidin-3-ylpropanoate
CID 11564749
N-ethyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 119271520
2-thiophen-2-ylethyl 2-amino-2-cyclohexylacetate
CID 54966664
2-thiophen-2-ylethyl 3-piperidin-2-ylpropanoate
CID 62217215
1-pyrrolidin-3-yl-3-thiophen-2-ylpropan-1-one
CID 116568317
(3R)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 81123819

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylethyl 2-methyl-2-piperidin-3-ylpropanoate?
The IUPAC name of 2-thiophen-2-ylethyl 2-methyl-2-piperidin-3-ylpropanoate (CID 83197142) is 2-thiophen-2-ylethyl 2-methyl-2-piperidin-3-ylpropanoate.
What is the SMILES notation for 2-thiophen-2-ylethyl 2-methyl-2-piperidin-3-ylpropanoate?
The canonical SMILES for 2-thiophen-2-ylethyl 2-methyl-2-piperidin-3-ylpropanoate is CC(C)(C(=O)OCCc1cccs1)C1CCCNC1.
What is the InChIKey of 2-thiophen-2-ylethyl 2-methyl-2-piperidin-3-ylpropanoate?
The InChIKey is LRLGLAXNVUQRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-15(2,12-5-3-8-16-11-12)14(17)18-9-7-13-6-4-10-19-13/h4,6,10,12,16H,3,5,7-9,11H2,1-2H3.
What are the key properties of 2-thiophen-2-ylethyl 2-methyl-2-piperidin-3-ylpropanoate?
2-thiophen-2-ylethyl 2-methyl-2-piperidin-3-ylpropanoate has a molecular weight of 281.42 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylethyl 2-methyl-2-piperidin-3-ylpropanoate is sourced from PubChem (CID 83197142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).