ethyl 3-thiophen-2-ylpiperazine-1-carboxylate

C11H16N2O2S — CID 2771741

IUPACethyl 3-thiophen-2-ylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCNC(c2cccs2)C1
InChIInChI=1S/C11H16N2O2S/c1-2-15-11(14)13-6-5-12-9(8-13)10-4-3-7-16-10/h3-4,7,9,12H,2,5-6,8H2,1H3
InChIKeyYNIWHEQLSSKQCX-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.85
Rot. Bonds2

About ethyl 3-thiophen-2-ylpiperazine-1-carboxylate

ethyl 3-thiophen-2-ylpiperazine-1-carboxylate (PubChem CID 2771741) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is ethyl 3-thiophen-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-thiophen-2-ylpiperazine-1-carboxylate
PubChem CID2771741
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Nameethyl 3-thiophen-2-ylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCNC(c2cccs2)C1
InChIInChI=1S/C11H16N2O2S/c1-2-15-11(14)13-6-5-12-9(8-13)10-4-3-7-16-10/h3-4,7,9,12H,2,5-6,8H2,1H3
InChIKeyYNIWHEQLSSKQCX-UHFFFAOYSA-N
XLogP1.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-phenylpiperazine-1-carboxylate
CID 2771740
butyl 3-phenylpiperazine-1-carboxylate
CID 82246377
ethyl 4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazine-1-carboxylate
CID 51896985
hydroxymethyl 3-thiophen-2-ylpyrrolidine-1-carboxylate
CID 154081566
ethyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate
CID 95358480
ethyl 2-phenylthiomorpholine-4-carboxylate
CID 15665878
tert-butyl 3-phenylpiperazine-1-carboxylate
CID 2735358
ethyl (3S)-3-(trifluoromethyl)piperazine-1-carboxylate
CID 86337014
ethyl (6S)-3-cyclopropyl-4-methyl-2-oxo-6-thiophen-2-yl-1,6-dihydropyrimidine-5-carboxylate
CID 41095613
ethyl 2-chloro-5-[(3-phenylpiperazine-1-carbonyl)amino]benzoate
CID 72880313
[6-[(2R)-4-ethoxycarbonylpiperazin-2-yl]-3-pyridinyl]-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyborinic acid
CID 125121722
ethyl (2S,9R)-11-methyl-7-oxo-9-thiophen-2-yl-3,6,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),10-diene-10-carboxylate
CID 86279216

Frequently Asked Questions

What is the IUPAC name of ethyl 3-thiophen-2-ylpiperazine-1-carboxylate?
The IUPAC name of ethyl 3-thiophen-2-ylpiperazine-1-carboxylate (CID 2771741) is ethyl 3-thiophen-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for ethyl 3-thiophen-2-ylpiperazine-1-carboxylate?
The canonical SMILES for ethyl 3-thiophen-2-ylpiperazine-1-carboxylate is CCOC(=O)N1CCNC(c2cccs2)C1.
What is the InChIKey of ethyl 3-thiophen-2-ylpiperazine-1-carboxylate?
The InChIKey is YNIWHEQLSSKQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-2-15-11(14)13-6-5-12-9(8-13)10-4-3-7-16-10/h3-4,7,9,12H,2,5-6,8H2,1H3.
What are the key properties of ethyl 3-thiophen-2-ylpiperazine-1-carboxylate?
ethyl 3-thiophen-2-ylpiperazine-1-carboxylate has a molecular weight of 240.33 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-thiophen-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 2771741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).