6-[2-methoxyethyl(methyl)amino]-5-piperidin-1-ylpyrazine-2-carboxylic acid

C14H22N4O3 — CID 68568114

IUPAC6-[2-methoxyethyl(methyl)amino]-5-piperidin-1-ylpyrazine-2-carboxylic acid
SMILESCOCCN(C)c1nc(C(=O)O)cnc1N1CCCCC1
InChIInChI=1S/C14H22N4O3/c1-17(8-9-21-2)13-12(18-6-4-3-5-7-18)15-10-11(16-13)14(19)20/h10H,3-9H2,1-2H3,(H,19,20)
InChIKeyXOEVMIYALDPTEH-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.25
Rot. Bonds6

About 6-[2-methoxyethyl(methyl)amino]-5-piperidin-1-ylpyrazine-2-carboxylic acid

6-[2-methoxyethyl(methyl)amino]-5-piperidin-1-ylpyrazine-2-carboxylic acid (PubChem CID 68568114) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 6-[2-methoxyethyl(methyl)amino]-5-piperidin-1-ylpyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-methoxyethyl(methyl)amino]-5-piperidin-1-ylpyrazine-2-carboxylic acid
PubChem CID68568114
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name6-[2-methoxyethyl(methyl)amino]-5-piperidin-1-ylpyrazine-2-carboxylic acid
SMILESCOCCN(C)c1nc(C(=O)O)cnc1N1CCCCC1
InChIInChI=1S/C14H22N4O3/c1-17(8-9-21-2)13-12(18-6-4-3-5-7-18)15-10-11(16-13)14(19)20/h10H,3-9H2,1-2H3,(H,19,20)
InChIKeyXOEVMIYALDPTEH-UHFFFAOYSA-N
XLogP1.25
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-methoxyethyl(methyl)amino]-5-piperidin-1-ylpyrazine-2-carboxylic acid?
The IUPAC name of 6-[2-methoxyethyl(methyl)amino]-5-piperidin-1-ylpyrazine-2-carboxylic acid (CID 68568114) is 6-[2-methoxyethyl(methyl)amino]-5-piperidin-1-ylpyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[2-methoxyethyl(methyl)amino]-5-piperidin-1-ylpyrazine-2-carboxylic acid?
The canonical SMILES for 6-[2-methoxyethyl(methyl)amino]-5-piperidin-1-ylpyrazine-2-carboxylic acid is COCCN(C)c1nc(C(=O)O)cnc1N1CCCCC1.
What is the InChIKey of 6-[2-methoxyethyl(methyl)amino]-5-piperidin-1-ylpyrazine-2-carboxylic acid?
The InChIKey is XOEVMIYALDPTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-17(8-9-21-2)13-12(18-6-4-3-5-7-18)15-10-11(16-13)14(19)20/h10H,3-9H2,1-2H3,(H,19,20).
What are the key properties of 6-[2-methoxyethyl(methyl)amino]-5-piperidin-1-ylpyrazine-2-carboxylic acid?
6-[2-methoxyethyl(methyl)amino]-5-piperidin-1-ylpyrazine-2-carboxylic acid has a molecular weight of 294.36 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methoxyethyl(methyl)amino]-5-piperidin-1-ylpyrazine-2-carboxylic acid is sourced from PubChem (CID 68568114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).