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

C13H17N3O4 — CID 66456031

IUPACmethyl 6-(4-methoxycarbonylpiperidin-1-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N2CCC(C(=O)OC)CC2)n1
InChIInChI=1S/C13H17N3O4/c1-19-12(17)9-3-5-16(6-4-9)11-8-14-7-10(15-11)13(18)20-2/h7-9H,3-6H2,1-2H3
InChIKeyRECGXNFCLGKFSR-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.65
Rot. Bonds3

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

methyl 6-(4-methoxycarbonylpiperidin-1-yl)pyrazine-2-carboxylate (PubChem CID 66456031) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is methyl 6-(4-methoxycarbonylpiperidin-1-yl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-methoxycarbonylpiperidin-1-yl)pyrazine-2-carboxylate
PubChem CID66456031
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Namemethyl 6-(4-methoxycarbonylpiperidin-1-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N2CCC(C(=O)OC)CC2)n1
InChIInChI=1S/C13H17N3O4/c1-19-12(17)9-3-5-16(6-4-9)11-8-14-7-10(15-11)13(18)20-2/h7-9H,3-6H2,1-2H3
InChIKeyRECGXNFCLGKFSR-UHFFFAOYSA-N
XLogP0.65
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 6-(4-ethylpiperidin-1-yl)pyrazine-2-carboxylate
CID 66456854
methyl 6-[4-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carboxylate
CID 66456988
methyl 6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazine-2-carboxylate
CID 66449740
methyl 6-(4-cyclopentylpiperazin-1-yl)pyrazine-2-carboxylate
CID 66449525
methyl 6-[3-(dimethylamino)pyrrolidin-1-yl]pyrazine-2-carboxylate
CID 66449146
2-[1-(6-methoxycarbonylpyrazin-2-yl)pyrrolidin-3-yl]acetic acid
CID 66455444
methyl 6-(2-ethylazepan-1-yl)pyrazine-2-carboxylate
CID 104690113
methyl (3S)-1-(6-fluoropyrazin-2-yl)pyrrolidine-3-carboxylate
CID 154635452
methyl 6-(4-methyl-3-oxopiperazin-1-yl)pyrazine-2-carboxylate
CID 66449175
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-(2-cyclopentylpyrrolidin-1-yl)pyrazine-2-carboxylate
CID 66450885

Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-methoxycarbonylpiperidin-1-yl)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(4-methoxycarbonylpiperidin-1-yl)pyrazine-2-carboxylate (CID 66456031) is methyl 6-(4-methoxycarbonylpiperidin-1-yl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(4-methoxycarbonylpiperidin-1-yl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(4-methoxycarbonylpiperidin-1-yl)pyrazine-2-carboxylate is COC(=O)c1cncc(N2CCC(C(=O)OC)CC2)n1.
What is the InChIKey of methyl 6-(4-methoxycarbonylpiperidin-1-yl)pyrazine-2-carboxylate?
The InChIKey is RECGXNFCLGKFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-19-12(17)9-3-5-16(6-4-9)11-8-14-7-10(15-11)13(18)20-2/h7-9H,3-6H2,1-2H3.
What are the key properties of methyl 6-(4-methoxycarbonylpiperidin-1-yl)pyrazine-2-carboxylate?
methyl 6-(4-methoxycarbonylpiperidin-1-yl)pyrazine-2-carboxylate has a molecular weight of 279.30 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-methoxycarbonylpiperidin-1-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 66456031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).