methyl 2-(5-ethylthiophen-2-yl)-2-piperazin-1-ylacetate

C13H20N2O2S — CID 62347366

IUPACmethyl 2-(5-ethylthiophen-2-yl)-2-piperazin-1-ylacetate
SMILESCCc1ccc(C(C(=O)OC)N2CCNCC2)s1
InChIInChI=1S/C13H20N2O2S/c1-3-10-4-5-11(18-10)12(13(16)17-2)15-8-6-14-7-9-15/h4-5,12,14H,3,6-9H2,1-2H3
InChIKeyQMNYNVCAOANPNT-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.43
Rot. Bonds4

About methyl 2-(5-ethylthiophen-2-yl)-2-piperazin-1-ylacetate

methyl 2-(5-ethylthiophen-2-yl)-2-piperazin-1-ylacetate (PubChem CID 62347366) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is methyl 2-(5-ethylthiophen-2-yl)-2-piperazin-1-ylacetate.

Molecular Properties

Compound Namemethyl 2-(5-ethylthiophen-2-yl)-2-piperazin-1-ylacetate
PubChem CID62347366
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Namemethyl 2-(5-ethylthiophen-2-yl)-2-piperazin-1-ylacetate
SMILESCCc1ccc(C(C(=O)OC)N2CCNCC2)s1
InChIInChI=1S/C13H20N2O2S/c1-3-10-4-5-11(18-10)12(13(16)17-2)15-8-6-14-7-9-15/h4-5,12,14H,3,6-9H2,1-2H3
InChIKeyQMNYNVCAOANPNT-UHFFFAOYSA-N
XLogP1.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-piperazin-1-yl-2-thiophen-2-ylacetate
CID 61347523
1-[(5-ethylthiophen-2-yl)-(4-methoxyphenyl)methyl]piperazine
CID 3902292
methyl 2-(cyclopentylamino)-2-(5-ethylthiophen-2-yl)acetate
CID 62345405
1-[(1S)-1-(5-ethylthiophen-2-yl)-3-methylbutyl]piperazine;dihydrochloride
CID 171281368
methyl 2-(5-chloro-1,3-thiazol-2-yl)-2-piperazin-1-ylacetate
CID 107124353
methyl (2R)-2-(4-chlorophenyl)-2-piperazin-1-ylacetate
CID 28819369
1-[(S)-cyclohexyl-(5-ethylthiophen-2-yl)methyl]piperazine
CID 171281355
1-[(1S)-1-(5-ethylthiophen-2-yl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171302999
1-[(1R)-1-(5-ethylthiophen-2-yl)-4-methylpentyl]piperazine;dihydrochloride
CID 171311160
methyl 2-(4-methyl-1,3-thiazol-5-yl)-2-piperazin-1-ylacetate
CID 102766022
1-[(1R)-2-cyclopropyl-1-(5-ethylthiophen-2-yl)ethyl]piperazine;dihydrochloride
CID 171293988
1-[(5-ethylthiophen-2-yl)-(2-methoxyphenyl)methyl]-1,4-diazepane
CID 3831048

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-ethylthiophen-2-yl)-2-piperazin-1-ylacetate?
The IUPAC name of methyl 2-(5-ethylthiophen-2-yl)-2-piperazin-1-ylacetate (CID 62347366) is methyl 2-(5-ethylthiophen-2-yl)-2-piperazin-1-ylacetate.
What is the SMILES notation for methyl 2-(5-ethylthiophen-2-yl)-2-piperazin-1-ylacetate?
The canonical SMILES for methyl 2-(5-ethylthiophen-2-yl)-2-piperazin-1-ylacetate is CCc1ccc(C(C(=O)OC)N2CCNCC2)s1.
What is the InChIKey of methyl 2-(5-ethylthiophen-2-yl)-2-piperazin-1-ylacetate?
The InChIKey is QMNYNVCAOANPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-10-4-5-11(18-10)12(13(16)17-2)15-8-6-14-7-9-15/h4-5,12,14H,3,6-9H2,1-2H3.
What are the key properties of methyl 2-(5-ethylthiophen-2-yl)-2-piperazin-1-ylacetate?
methyl 2-(5-ethylthiophen-2-yl)-2-piperazin-1-ylacetate has a molecular weight of 268.38 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-ethylthiophen-2-yl)-2-piperazin-1-ylacetate is sourced from PubChem (CID 62347366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).