ethyl 1-(6-chloropyrazin-2-yl)piperazine-2-carboxylate

C11H15ClN4O2 — CID 116650861

IUPACethyl 1-(6-chloropyrazin-2-yl)piperazine-2-carboxylate
SMILESCCOC(=O)C1CNCCN1c1cncc(Cl)n1
InChIInChI=1S/C11H15ClN4O2/c1-2-18-11(17)8-5-13-3-4-16(8)10-7-14-6-9(12)15-10/h6-8,13H,2-5H2,1H3
InChIKeyXUOLSGZLPQHBNH-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.47
Rot. Bonds3

About ethyl 1-(6-chloropyrazin-2-yl)piperazine-2-carboxylate

ethyl 1-(6-chloropyrazin-2-yl)piperazine-2-carboxylate (PubChem CID 116650861) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is ethyl 1-(6-chloropyrazin-2-yl)piperazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6-chloropyrazin-2-yl)piperazine-2-carboxylate
PubChem CID116650861
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Nameethyl 1-(6-chloropyrazin-2-yl)piperazine-2-carboxylate
SMILESCCOC(=O)C1CNCCN1c1cncc(Cl)n1
InChIInChI=1S/C11H15ClN4O2/c1-2-18-11(17)8-5-13-3-4-16(8)10-7-14-6-9(12)15-10/h6-8,13H,2-5H2,1H3
InChIKeyXUOLSGZLPQHBNH-UHFFFAOYSA-N
XLogP0.47
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-6-(2-methylpiperazin-1-yl)pyrazine
CID 18186773
ethyl 1-(5-fluoropyrimidin-2-yl)piperazine-2-carboxylate
CID 113432137
ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)piperazine-2-carboxylate
CID 105363029
ethyl 1-[(4,6-dichloro-3-pyridinyl)methyl]piperazine-2-carboxylate
CID 116519819
ethyl 1-(5-nitro-1,3-thiazol-2-yl)piperazine-2-carboxylate
CID 102771380
ethyl 1-[(4-chlorophenyl)methyl]piperazine-2-carboxylate
CID 10850510
ethyl 1-(1,3-thiazole-5-carbonyl)piperazine-2-carboxylate
CID 114031288
ethyl 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazine-2-carboxylate
CID 107305379
ethyl 1-(3-chloroprop-2-enyl)piperazine-2-carboxylate
CID 77074295
ethyl 1-benzylpiperazine-2-carboxylate;hydrochloride
CID 53487540
ethyl 1-(4-iodo-2-nitrophenyl)piperazine-2-carboxylate
CID 66082699
(2R)-1-(2-chloro-6-methylpyrimidin-4-yl)piperazine-2-carboxylic acid
CID 97162747

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6-chloropyrazin-2-yl)piperazine-2-carboxylate?
The IUPAC name of ethyl 1-(6-chloropyrazin-2-yl)piperazine-2-carboxylate (CID 116650861) is ethyl 1-(6-chloropyrazin-2-yl)piperazine-2-carboxylate.
What is the SMILES notation for ethyl 1-(6-chloropyrazin-2-yl)piperazine-2-carboxylate?
The canonical SMILES for ethyl 1-(6-chloropyrazin-2-yl)piperazine-2-carboxylate is CCOC(=O)C1CNCCN1c1cncc(Cl)n1.
What is the InChIKey of ethyl 1-(6-chloropyrazin-2-yl)piperazine-2-carboxylate?
The InChIKey is XUOLSGZLPQHBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c1-2-18-11(17)8-5-13-3-4-16(8)10-7-14-6-9(12)15-10/h6-8,13H,2-5H2,1H3.
What are the key properties of ethyl 1-(6-chloropyrazin-2-yl)piperazine-2-carboxylate?
ethyl 1-(6-chloropyrazin-2-yl)piperazine-2-carboxylate has a molecular weight of 270.72 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6-chloropyrazin-2-yl)piperazine-2-carboxylate is sourced from PubChem (CID 116650861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).