methyl 2-piperazin-1-yl-2-thiophen-2-ylacetate

C11H16N2O2S — CID 61347523

IUPACmethyl 2-piperazin-1-yl-2-thiophen-2-ylacetate
SMILESCOC(=O)C(c1cccs1)N1CCNCC1
InChIInChI=1S/C11H16N2O2S/c1-15-11(14)10(9-3-2-8-16-9)13-6-4-12-5-7-13/h2-3,8,10,12H,4-7H2,1H3
InChIKeyMVJNJWMTNKWVBF-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.87
Rot. Bonds3

About methyl 2-piperazin-1-yl-2-thiophen-2-ylacetate

methyl 2-piperazin-1-yl-2-thiophen-2-ylacetate (PubChem CID 61347523) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is methyl 2-piperazin-1-yl-2-thiophen-2-ylacetate.

Molecular Properties

Compound Namemethyl 2-piperazin-1-yl-2-thiophen-2-ylacetate
PubChem CID61347523
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Namemethyl 2-piperazin-1-yl-2-thiophen-2-ylacetate
SMILESCOC(=O)C(c1cccs1)N1CCNCC1
InChIInChI=1S/C11H16N2O2S/c1-15-11(14)10(9-3-2-8-16-9)13-6-4-12-5-7-13/h2-3,8,10,12H,4-7H2,1H3
InChIKeyMVJNJWMTNKWVBF-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(5-ethylthiophen-2-yl)-2-piperazin-1-ylacetate
CID 62347366
2-piperazin-1-yl-1-pyrrolidin-1-yl-2-thiophen-2-ylethanone
CID 83979355
1-(azepan-1-yl)-2-piperazin-1-yl-2-thiophen-2-ylethanone
CID 83979370
methyl (2R)-2-(4-chlorophenyl)-2-piperazin-1-ylacetate
CID 28819369
methyl 2-(3-hydroxyphenyl)-2-piperazin-1-ylacetate
CID 54894645
methyl 2-(4-methyl-1,3-thiazol-5-yl)-2-piperazin-1-ylacetate
CID 102766022
piperazin-1-yl(thiophen-2-yl)methanamine
CID 116939719
ethyl (2S)-2-piperidin-1-yl-2-thiophen-2-ylacetate
CID 97355402
methyl 2-(1,3-dioxoisoindol-2-yl)-2-thiophen-2-ylacetate
CID 54169263
methyl 2-(4-chlorophenyl)-2-(1,4-diazepan-1-yl)acetate
CID 54890533
methyl 2-thiophen-2-ylpropanoate
CID 12819459
methyl 2-(5-chloro-1,3-thiazol-2-yl)-2-piperazin-1-ylacetate
CID 107124353

Frequently Asked Questions

What is the IUPAC name of methyl 2-piperazin-1-yl-2-thiophen-2-ylacetate?
The IUPAC name of methyl 2-piperazin-1-yl-2-thiophen-2-ylacetate (CID 61347523) is methyl 2-piperazin-1-yl-2-thiophen-2-ylacetate.
What is the SMILES notation for methyl 2-piperazin-1-yl-2-thiophen-2-ylacetate?
The canonical SMILES for methyl 2-piperazin-1-yl-2-thiophen-2-ylacetate is COC(=O)C(c1cccs1)N1CCNCC1.
What is the InChIKey of methyl 2-piperazin-1-yl-2-thiophen-2-ylacetate?
The InChIKey is MVJNJWMTNKWVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-15-11(14)10(9-3-2-8-16-9)13-6-4-12-5-7-13/h2-3,8,10,12H,4-7H2,1H3.
What are the key properties of methyl 2-piperazin-1-yl-2-thiophen-2-ylacetate?
methyl 2-piperazin-1-yl-2-thiophen-2-ylacetate has a molecular weight of 240.33 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-piperazin-1-yl-2-thiophen-2-ylacetate is sourced from PubChem (CID 61347523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).