methyl 6-(4-methoxy-2-methylpiperidin-1-yl)pyrazine-2-carboxylate

C13H19N3O3 — CID 114221167

IUPACmethyl 6-(4-methoxy-2-methylpiperidin-1-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N2CCC(OC)CC2C)n1
InChIInChI=1S/C13H19N3O3/c1-9-6-10(18-2)4-5-16(9)12-8-14-7-11(15-12)13(17)19-3/h7-10H,4-6H2,1-3H3
InChIKeyCXKAAHGXOMBIEH-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.27
Rot. Bonds3

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

methyl 6-(4-methoxy-2-methylpiperidin-1-yl)pyrazine-2-carboxylate (PubChem CID 114221167) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 6-(4-methoxy-2-methylpiperidin-1-yl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-methoxy-2-methylpiperidin-1-yl)pyrazine-2-carboxylate
PubChem CID114221167
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Namemethyl 6-(4-methoxy-2-methylpiperidin-1-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N2CCC(OC)CC2C)n1
InChIInChI=1S/C13H19N3O3/c1-9-6-10(18-2)4-5-16(9)12-8-14-7-11(15-12)13(17)19-3/h7-10H,4-6H2,1-3H3
InChIKeyCXKAAHGXOMBIEH-UHFFFAOYSA-N
XLogP1.27
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-methoxy-2-methylpiperidin-1-yl)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(4-methoxy-2-methylpiperidin-1-yl)pyrazine-2-carboxylate (CID 114221167) is methyl 6-(4-methoxy-2-methylpiperidin-1-yl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(4-methoxy-2-methylpiperidin-1-yl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(4-methoxy-2-methylpiperidin-1-yl)pyrazine-2-carboxylate is COC(=O)c1cncc(N2CCC(OC)CC2C)n1.
What is the InChIKey of methyl 6-(4-methoxy-2-methylpiperidin-1-yl)pyrazine-2-carboxylate?
The InChIKey is CXKAAHGXOMBIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-6-10(18-2)4-5-16(9)12-8-14-7-11(15-12)13(17)19-3/h7-10H,4-6H2,1-3H3.
What are the key properties of methyl 6-(4-methoxy-2-methylpiperidin-1-yl)pyrazine-2-carboxylate?
methyl 6-(4-methoxy-2-methylpiperidin-1-yl)pyrazine-2-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-methoxy-2-methylpiperidin-1-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 114221167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).