methyl 6-(2-methyl-3-oxopiperazin-1-yl)pyrazine-2-carboxylate

C11H14N4O3 — CID 66449155

IUPACmethyl 6-(2-methyl-3-oxopiperazin-1-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N2CCNC(=O)C2C)n1
InChIInChI=1S/C11H14N4O3/c1-7-10(16)13-3-4-15(7)9-6-12-5-8(14-9)11(17)18-2/h5-7H,3-4H2,1-2H3,(H,13,16)
InChIKeyMOHLXTNNCFRNQB-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.41
Rot. Bonds2

About methyl 6-(2-methyl-3-oxopiperazin-1-yl)pyrazine-2-carboxylate

methyl 6-(2-methyl-3-oxopiperazin-1-yl)pyrazine-2-carboxylate (PubChem CID 66449155) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is methyl 6-(2-methyl-3-oxopiperazin-1-yl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-methyl-3-oxopiperazin-1-yl)pyrazine-2-carboxylate
PubChem CID66449155
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Namemethyl 6-(2-methyl-3-oxopiperazin-1-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N2CCNC(=O)C2C)n1
InChIInChI=1S/C11H14N4O3/c1-7-10(16)13-3-4-15(7)9-6-12-5-8(14-9)11(17)18-2/h5-7H,3-4H2,1-2H3,(H,13,16)
InChIKeyMOHLXTNNCFRNQB-UHFFFAOYSA-N
XLogP-0.41
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-(4-methoxy-2-methylpiperidin-1-yl)pyrazine-2-carboxylate
CID 114221167
methyl 6-(2-cyclopentylpyrrolidin-1-yl)pyrazine-2-carboxylate
CID 66450885
4-(6-methoxycarbonylpyrazin-2-yl)morpholine-3-carboxylic acid
CID 66455443
methyl 6-(2-ethylazepan-1-yl)pyrazine-2-carboxylate
CID 104690113
methyl 6-(4-methoxycarbonylpiperidin-1-yl)pyrazine-2-carboxylate
CID 66456031
methyl 6-(4-methyl-3-oxopiperazin-1-yl)pyrazine-2-carboxylate
CID 66449175
methyl 6-(4-ethylpiperidin-1-yl)pyrazine-2-carboxylate
CID 66456854
methyl 6-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazine-2-carboxylate
CID 66456976
methyl 6-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazine-2-carboxylate
CID 66456369
methyl 6-[4-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carboxylate
CID 66456988
2-[1-(6-methoxycarbonylpyrazin-2-yl)pyrrolidin-3-yl]acetic acid
CID 66455444
methyl 6-[3-(dimethylamino)pyrrolidin-1-yl]pyrazine-2-carboxylate
CID 66449146

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-methyl-3-oxopiperazin-1-yl)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(2-methyl-3-oxopiperazin-1-yl)pyrazine-2-carboxylate (CID 66449155) is methyl 6-(2-methyl-3-oxopiperazin-1-yl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(2-methyl-3-oxopiperazin-1-yl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(2-methyl-3-oxopiperazin-1-yl)pyrazine-2-carboxylate is COC(=O)c1cncc(N2CCNC(=O)C2C)n1.
What is the InChIKey of methyl 6-(2-methyl-3-oxopiperazin-1-yl)pyrazine-2-carboxylate?
The InChIKey is MOHLXTNNCFRNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-7-10(16)13-3-4-15(7)9-6-12-5-8(14-9)11(17)18-2/h5-7H,3-4H2,1-2H3,(H,13,16).
What are the key properties of methyl 6-(2-methyl-3-oxopiperazin-1-yl)pyrazine-2-carboxylate?
methyl 6-(2-methyl-3-oxopiperazin-1-yl)pyrazine-2-carboxylate has a molecular weight of 250.26 g/mol, XLogP of -0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-methyl-3-oxopiperazin-1-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 66449155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).