1-(5,6-dimethylpyrazin-2-yl)-4-ethylpiperidine-2-carboxylic acid

C14H21N3O2 — CID 114474690

IUPAC1-(5,6-dimethylpyrazin-2-yl)-4-ethylpiperidine-2-carboxylic acid
SMILESCCC1CCN(c2cnc(C)c(C)n2)C(C(=O)O)C1
InChIInChI=1S/C14H21N3O2/c1-4-11-5-6-17(12(7-11)14(18)19)13-8-15-9(2)10(3)16-13/h8,11-12H,4-7H2,1-3H3,(H,18,19)
InChIKeyGVIRIVMXBHXKHL-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.17
Rot. Bonds3

About 1-(5,6-dimethylpyrazin-2-yl)-4-ethylpiperidine-2-carboxylic acid

1-(5,6-dimethylpyrazin-2-yl)-4-ethylpiperidine-2-carboxylic acid (PubChem CID 114474690) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(5,6-dimethylpyrazin-2-yl)-4-ethylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5,6-dimethylpyrazin-2-yl)-4-ethylpiperidine-2-carboxylic acid
PubChem CID114474690
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-(5,6-dimethylpyrazin-2-yl)-4-ethylpiperidine-2-carboxylic acid
SMILESCCC1CCN(c2cnc(C)c(C)n2)C(C(=O)O)C1
InChIInChI=1S/C14H21N3O2/c1-4-11-5-6-17(12(7-11)14(18)19)13-8-15-9(2)10(3)16-13/h8,11-12H,4-7H2,1-3H3,(H,18,19)
InChIKeyGVIRIVMXBHXKHL-UHFFFAOYSA-N
XLogP2.17
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-1-(2-methylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 114427599
1-(5,6-dimethylpyrazin-2-yl)azepane-2-carboxylic acid
CID 114474477
1-(6-ethoxypyrimidin-4-yl)-4-ethylpiperidine-2-carboxylic acid
CID 114427497
4-ethyl-1-(5-nitro-2-pyridinyl)piperidine-2-carboxylic acid
CID 114427543
4-ethyl-1-quinazolin-2-ylpiperidine-2-carboxylic acid
CID 114788663
4-ethyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-2-carboxylic acid
CID 114427477
4-ethyl-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperidine-2-carboxylic acid
CID 114427593
4-ethyl-1-(4-methyl-3-oxopyrazin-2-yl)piperidine-2-carboxylic acid
CID 114427626
1-(1,3-benzoxazol-2-yl)-4-ethylpiperidine-2-carboxylic acid
CID 114427658
4-ethyl-1-(4-propan-2-yloxypyrimidin-2-yl)piperidine-2-carboxylic acid
CID 114427636
1-(3-carbamoyl-2-pyridinyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427498
4-ethyl-1-(4-methylsulfonylphenyl)piperidine-2-carboxylic acid
CID 114427648

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethylpyrazin-2-yl)-4-ethylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(5,6-dimethylpyrazin-2-yl)-4-ethylpiperidine-2-carboxylic acid (CID 114474690) is 1-(5,6-dimethylpyrazin-2-yl)-4-ethylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(5,6-dimethylpyrazin-2-yl)-4-ethylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(5,6-dimethylpyrazin-2-yl)-4-ethylpiperidine-2-carboxylic acid is CCC1CCN(c2cnc(C)c(C)n2)C(C(=O)O)C1.
What is the InChIKey of 1-(5,6-dimethylpyrazin-2-yl)-4-ethylpiperidine-2-carboxylic acid?
The InChIKey is GVIRIVMXBHXKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-11-5-6-17(12(7-11)14(18)19)13-8-15-9(2)10(3)16-13/h8,11-12H,4-7H2,1-3H3,(H,18,19).
What are the key properties of 1-(5,6-dimethylpyrazin-2-yl)-4-ethylpiperidine-2-carboxylic acid?
1-(5,6-dimethylpyrazin-2-yl)-4-ethylpiperidine-2-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethylpyrazin-2-yl)-4-ethylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114474690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).