ethyl 1-(5-chloropyrazine-2-carbonyl)piperidine-4-carboxylate

C13H16ClN3O3 — CID 103803169

IUPACethyl 1-(5-chloropyrazine-2-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cnc(Cl)cn2)CC1
InChIInChI=1S/C13H16ClN3O3/c1-2-20-13(19)9-3-5-17(6-4-9)12(18)10-7-16-11(14)8-15-10/h7-9H,2-6H2,1H3
InChIKeySBOTWIUCFJYYQS-UHFFFAOYSA-N
MW297.74 g/mol
LogP1.55
Rot. Bonds3

About ethyl 1-(5-chloropyrazine-2-carbonyl)piperidine-4-carboxylate

ethyl 1-(5-chloropyrazine-2-carbonyl)piperidine-4-carboxylate (PubChem CID 103803169) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is ethyl 1-(5-chloropyrazine-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-chloropyrazine-2-carbonyl)piperidine-4-carboxylate
PubChem CID103803169
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC Nameethyl 1-(5-chloropyrazine-2-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cnc(Cl)cn2)CC1
InChIInChI=1S/C13H16ClN3O3/c1-2-20-13(19)9-3-5-17(6-4-9)12(18)10-7-16-11(14)8-15-10/h7-9H,2-6H2,1H3
InChIKeySBOTWIUCFJYYQS-UHFFFAOYSA-N
XLogP1.55
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(4-chloropyridine-2-carbonyl)piperidine-4-carboxylate
CID 43216980
(5-chloropyrazin-2-yl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 107257837
ethyl 1-(2-methylpyrimidine-5-carbonyl)piperidine-4-carboxylate
CID 155405233
(5-chloropyrazin-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 113268061
(5-chloropyrazin-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 107257835
ethyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate
CID 81345143
1-[4-(5-chloropyrazine-2-carbonyl)piperazin-1-yl]ethanone
CID 103803140
ethyl 1-(thiadiazole-5-carbonyl)piperidine-4-carboxylate
CID 43623389
(5-chloropyrazin-2-yl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone
CID 107257834
ethyl 1-(6-oxo-1H-pyrimidine-4-carbonyl)piperidine-4-carboxylate
CID 137147280
ethyl 1-(2-amino-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate
CID 62788546
ethyl 1-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)piperidine-4-carboxylate
CID 19154736

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-chloropyrazine-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(5-chloropyrazine-2-carbonyl)piperidine-4-carboxylate (CID 103803169) is ethyl 1-(5-chloropyrazine-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(5-chloropyrazine-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(5-chloropyrazine-2-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cnc(Cl)cn2)CC1.
What is the InChIKey of ethyl 1-(5-chloropyrazine-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is SBOTWIUCFJYYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3/c1-2-20-13(19)9-3-5-17(6-4-9)12(18)10-7-16-11(14)8-15-10/h7-9H,2-6H2,1H3.
What are the key properties of ethyl 1-(5-chloropyrazine-2-carbonyl)piperidine-4-carboxylate?
ethyl 1-(5-chloropyrazine-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 297.74 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-chloropyrazine-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 103803169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).