methyl 6-(4-ethylpiperidin-1-yl)pyrazine-2-carboxylate

C13H19N3O2 — CID 66456854

IUPACmethyl 6-(4-ethylpiperidin-1-yl)pyrazine-2-carboxylate
SMILESCCC1CCN(c2cncc(C(=O)OC)n2)CC1
InChIInChI=1S/C13H19N3O2/c1-3-10-4-6-16(7-5-10)12-9-14-8-11(15-12)13(17)18-2/h8-10H,3-7H2,1-2H3
InChIKeyYUEVAMIQVGJYHO-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.89
Rot. Bonds3

About methyl 6-(4-ethylpiperidin-1-yl)pyrazine-2-carboxylate

methyl 6-(4-ethylpiperidin-1-yl)pyrazine-2-carboxylate (PubChem CID 66456854) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 6-(4-ethylpiperidin-1-yl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-ethylpiperidin-1-yl)pyrazine-2-carboxylate
PubChem CID66456854
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Namemethyl 6-(4-ethylpiperidin-1-yl)pyrazine-2-carboxylate
SMILESCCC1CCN(c2cncc(C(=O)OC)n2)CC1
InChIInChI=1S/C13H19N3O2/c1-3-10-4-6-16(7-5-10)12-9-14-8-11(15-12)13(17)18-2/h8-10H,3-7H2,1-2H3
InChIKeyYUEVAMIQVGJYHO-UHFFFAOYSA-N
XLogP1.89
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-[4-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carboxylate
CID 66456988
methyl 6-(4-methoxycarbonylpiperidin-1-yl)pyrazine-2-carboxylate
CID 66456031
2-[1-(6-methoxycarbonylpyrazin-2-yl)pyrrolidin-3-yl]acetic acid
CID 66455444
methyl 6-(4-cyclopentylpiperazin-1-yl)pyrazine-2-carboxylate
CID 66449525
methyl 6-[3-(dimethylamino)pyrrolidin-1-yl]pyrazine-2-carboxylate
CID 66449146
methyl 6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazine-2-carboxylate
CID 66449740
methyl 6-(2-ethylazepan-1-yl)pyrazine-2-carboxylate
CID 104690113
3-[4-(6-methoxycarbonylpyrazin-2-yl)piperazin-1-yl]propanoic acid
CID 66454587
methyl 6-(3-ethoxypiperidin-1-yl)pyrazine-2-carboxylate
CID 66451057
methyl 6-(4-methyl-3-oxopiperazin-1-yl)pyrazine-2-carboxylate
CID 66449175
methyl 6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazine-2-carboxylate
CID 66457745
methyl 6-(2-cyclopentylpyrrolidin-1-yl)pyrazine-2-carboxylate
CID 66450885

Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-ethylpiperidin-1-yl)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(4-ethylpiperidin-1-yl)pyrazine-2-carboxylate (CID 66456854) is methyl 6-(4-ethylpiperidin-1-yl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(4-ethylpiperidin-1-yl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(4-ethylpiperidin-1-yl)pyrazine-2-carboxylate is CCC1CCN(c2cncc(C(=O)OC)n2)CC1.
What is the InChIKey of methyl 6-(4-ethylpiperidin-1-yl)pyrazine-2-carboxylate?
The InChIKey is YUEVAMIQVGJYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-10-4-6-16(7-5-10)12-9-14-8-11(15-12)13(17)18-2/h8-10H,3-7H2,1-2H3.
What are the key properties of methyl 6-(4-ethylpiperidin-1-yl)pyrazine-2-carboxylate?
methyl 6-(4-ethylpiperidin-1-yl)pyrazine-2-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-ethylpiperidin-1-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 66456854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).