2-(2-ethyl-3-oxopiperazin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid

C14H19N3O3 — CID 63604743

IUPAC2-(2-ethyl-3-oxopiperazin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCCC1C(=O)NCCN1c1nc(C)cc(C)c1C(=O)O
InChIInChI=1S/C14H19N3O3/c1-4-10-13(18)15-5-6-17(10)12-11(14(19)20)8(2)7-9(3)16-12/h7,10H,4-6H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyQXBOMTROBLGYDK-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.11
Rot. Bonds3

About 2-(2-ethyl-3-oxopiperazin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid

2-(2-ethyl-3-oxopiperazin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid (PubChem CID 63604743) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-(2-ethyl-3-oxopiperazin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethyl-3-oxopiperazin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid
PubChem CID63604743
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-(2-ethyl-3-oxopiperazin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCCC1C(=O)NCCN1c1nc(C)cc(C)c1C(=O)O
InChIInChI=1S/C14H19N3O3/c1-4-10-13(18)15-5-6-17(10)12-11(14(19)20)8(2)7-9(3)16-12/h7,10H,4-6H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyQXBOMTROBLGYDK-UHFFFAOYSA-N
XLogP1.11
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-3-oxopiperazin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 2-(2-ethyl-3-oxopiperazin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid (CID 63604743) is 2-(2-ethyl-3-oxopiperazin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-ethyl-3-oxopiperazin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-ethyl-3-oxopiperazin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid is CCC1C(=O)NCCN1c1nc(C)cc(C)c1C(=O)O.
What is the InChIKey of 2-(2-ethyl-3-oxopiperazin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is QXBOMTROBLGYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-4-10-13(18)15-5-6-17(10)12-11(14(19)20)8(2)7-9(3)16-12/h7,10H,4-6H2,1-3H3,(H,15,18)(H,19,20).
What are the key properties of 2-(2-ethyl-3-oxopiperazin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid?
2-(2-ethyl-3-oxopiperazin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-3-oxopiperazin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 63604743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).