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

C13H18N2O3S — CID 762661

IUPACethyl 4-(2-thiophen-2-ylacetyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C13H18N2O3S/c1-2-18-13(17)15-7-5-14(6-8-15)12(16)10-11-4-3-9-19-11/h3-4,9H,2,5-8,10H2,1H3
InChIKeyCRHOAJUSHPAKBE-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.59
Rot. Bonds3

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

ethyl 4-(2-thiophen-2-ylacetyl)piperazine-1-carboxylate (PubChem CID 762661) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is ethyl 4-(2-thiophen-2-ylacetyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-thiophen-2-ylacetyl)piperazine-1-carboxylate
PubChem CID762661
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Nameethyl 4-(2-thiophen-2-ylacetyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C13H18N2O3S/c1-2-18-13(17)15-7-5-14(6-8-15)12(16)10-11-4-3-9-19-11/h3-4,9H,2,5-8,10H2,1H3
InChIKeyCRHOAJUSHPAKBE-UHFFFAOYSA-N
XLogP1.59
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-(2-thiophen-2-ylacetyl)piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-thiophen-2-ylacetyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2-thiophen-2-ylacetyl)piperazine-1-carboxylate (CID 762661) is ethyl 4-(2-thiophen-2-ylacetyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-thiophen-2-ylacetyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-thiophen-2-ylacetyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)Cc2cccs2)CC1.
What is the InChIKey of ethyl 4-(2-thiophen-2-ylacetyl)piperazine-1-carboxylate?
The InChIKey is CRHOAJUSHPAKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-2-18-13(17)15-7-5-14(6-8-15)12(16)10-11-4-3-9-19-11/h3-4,9H,2,5-8,10H2,1H3.
What are the key properties of ethyl 4-(2-thiophen-2-ylacetyl)piperazine-1-carboxylate?
ethyl 4-(2-thiophen-2-ylacetyl)piperazine-1-carboxylate has a molecular weight of 282.36 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-thiophen-2-ylacetyl)piperazine-1-carboxylate is sourced from PubChem (CID 762661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).