ethyl 4-(2-amino-2-thiophen-2-ylacetyl)piperazine-1-carboxylate

C13H19N3O3S — CID 115286815

IUPACethyl 4-(2-amino-2-thiophen-2-ylacetyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C(N)c2cccs2)CC1
InChIInChI=1S/C13H19N3O3S/c1-2-19-13(18)16-7-5-15(6-8-16)12(17)11(14)10-4-3-9-20-10/h3-4,9,11H,2,5-8,14H2,1H3
InChIKeyQCRZIBVHFYWOGJ-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.05
Rot. Bonds3

About ethyl 4-(2-amino-2-thiophen-2-ylacetyl)piperazine-1-carboxylate

ethyl 4-(2-amino-2-thiophen-2-ylacetyl)piperazine-1-carboxylate (PubChem CID 115286815) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is ethyl 4-(2-amino-2-thiophen-2-ylacetyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-amino-2-thiophen-2-ylacetyl)piperazine-1-carboxylate
PubChem CID115286815
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Nameethyl 4-(2-amino-2-thiophen-2-ylacetyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C(N)c2cccs2)CC1
InChIInChI=1S/C13H19N3O3S/c1-2-19-13(18)16-7-5-15(6-8-16)12(17)11(14)10-4-3-9-20-10/h3-4,9,11H,2,5-8,14H2,1H3
InChIKeyQCRZIBVHFYWOGJ-UHFFFAOYSA-N
XLogP1.05
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[(2-amino-2-thiophen-2-ylacetyl)amino]piperidine-1-carboxylate
CID 115285967
2-amino-1-(4-propylpiperazin-1-yl)-2-thiophen-2-ylethanone
CID 115285943
1-[4-(2-amino-2-thiophen-2-ylacetyl)piperazin-1-yl]-3-methylbutan-1-one
CID 115286671
2-amino-1-(4-methylsulfonylpiperazin-1-yl)-2-thiophen-2-ylethanone
CID 115286554
2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-thiophen-2-ylethanone
CID 113279080
ethyl 4-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]piperazine-1-carboxylate
CID 8544148
2-amino-1-(1,4-thiazepan-4-yl)-2-thiophen-2-ylethanone
CID 115287048
2-amino-1-(3,4-dimethylpiperazin-1-yl)-2-thiophen-2-ylethanone
CID 113279250
ethyl 4-[N'-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N-ethylcarbamimidoyl]piperazine-1-carboxylate
CID 111164639
1-(2-amino-2-thiophen-2-ylacetyl)-N-methylpiperidine-4-carboxamide
CID 115286098
ethyl 4-[(Z)-3-thiophen-2-ylprop-2-enoyl]piperazine-1-carboxylate
CID 92919452
ethyl 4-[2-(thiophene-2-carbonylamino)acetyl]piperazine-1-carboxylate
CID 2622962

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-amino-2-thiophen-2-ylacetyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2-amino-2-thiophen-2-ylacetyl)piperazine-1-carboxylate (CID 115286815) is ethyl 4-(2-amino-2-thiophen-2-ylacetyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-amino-2-thiophen-2-ylacetyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-amino-2-thiophen-2-ylacetyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C(N)c2cccs2)CC1.
What is the InChIKey of ethyl 4-(2-amino-2-thiophen-2-ylacetyl)piperazine-1-carboxylate?
The InChIKey is QCRZIBVHFYWOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-2-19-13(18)16-7-5-15(6-8-16)12(17)11(14)10-4-3-9-20-10/h3-4,9,11H,2,5-8,14H2,1H3.
What are the key properties of ethyl 4-(2-amino-2-thiophen-2-ylacetyl)piperazine-1-carboxylate?
ethyl 4-(2-amino-2-thiophen-2-ylacetyl)piperazine-1-carboxylate has a molecular weight of 297.38 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-amino-2-thiophen-2-ylacetyl)piperazine-1-carboxylate is sourced from PubChem (CID 115286815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).