methyl 5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxylate

C13H19N3O2 — CID 104696638

IUPACmethyl 5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxylate
SMILESCCC1CCCCN1c1cnc(C(=O)OC)cn1
InChIInChI=1S/C13H19N3O2/c1-3-10-6-4-5-7-16(10)12-9-14-11(8-15-12)13(17)18-2/h8-10H,3-7H2,1-2H3
InChIKeyXODLEILRIAXEKH-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.03
Rot. Bonds3

About methyl 5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxylate

methyl 5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxylate (PubChem CID 104696638) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxylate
PubChem CID104696638
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Namemethyl 5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxylate
SMILESCCC1CCCCN1c1cnc(C(=O)OC)cn1
InChIInChI=1S/C13H19N3O2/c1-3-10-6-4-5-7-16(10)12-9-14-11(8-15-12)13(17)18-2/h8-10H,3-7H2,1-2H3
InChIKeyXODLEILRIAXEKH-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109274707
methyl 6-(2-ethylazepan-1-yl)pyrazine-2-carboxylate
CID 104690113
[5-(2-ethylpiperidin-1-yl)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275073
ethyl 4-[5-(2-ethylpiperidin-1-yl)pyrazine-2-carbonyl]piperazine-1-carboxylate
CID 109286263
5-(2-ethylpiperidin-1-yl)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109288627
5-(2-ethylpiperidin-1-yl)-N-(3-methylbutyl)pyrazine-2-carboxamide
CID 109287769
N-(2,6-dimethylphenyl)-5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109288601
5-(2-ethylpiperidin-1-yl)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide
CID 109288675
methyl 5-(2,3-dimethylpiperidin-1-yl)pyrazine-2-carboxylate
CID 114059784
5-(2-ethylpiperidin-1-yl)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280798
5-(2-ethylpiperidin-1-yl)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 109281326
5-(2-ethylpiperidin-1-yl)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109288653

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxylate?
The IUPAC name of methyl 5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxylate (CID 104696638) is methyl 5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxylate is CCC1CCCCN1c1cnc(C(=O)OC)cn1.
What is the InChIKey of methyl 5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxylate?
The InChIKey is XODLEILRIAXEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-10-6-4-5-7-16(10)12-9-14-11(8-15-12)13(17)18-2/h8-10H,3-7H2,1-2H3.
What are the key properties of methyl 5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxylate?
methyl 5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 104696638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).