6-(2,2-dimethyl-3-oxopiperazin-1-yl)pyridine-3-carboxylic acid

C12H15N3O3 — CID 63606423

IUPAC6-(2,2-dimethyl-3-oxopiperazin-1-yl)pyridine-3-carboxylic acid
SMILESCC1(C)C(=O)NCCN1c1ccc(C(=O)O)cn1
InChIInChI=1S/C12H15N3O3/c1-12(2)11(18)13-5-6-15(12)9-4-3-8(7-14-9)10(16)17/h3-4,7H,5-6H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyWPAJVCPHQPERQC-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.49
Rot. Bonds2

About 6-(2,2-dimethyl-3-oxopiperazin-1-yl)pyridine-3-carboxylic acid

6-(2,2-dimethyl-3-oxopiperazin-1-yl)pyridine-3-carboxylic acid (PubChem CID 63606423) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 6-(2,2-dimethyl-3-oxopiperazin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2,2-dimethyl-3-oxopiperazin-1-yl)pyridine-3-carboxylic acid
PubChem CID63606423
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name6-(2,2-dimethyl-3-oxopiperazin-1-yl)pyridine-3-carboxylic acid
SMILESCC1(C)C(=O)NCCN1c1ccc(C(=O)O)cn1
InChIInChI=1S/C12H15N3O3/c1-12(2)11(18)13-5-6-15(12)9-4-3-8(7-14-9)10(16)17/h3-4,7H,5-6H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyWPAJVCPHQPERQC-UHFFFAOYSA-N
XLogP0.49
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethyl-3-oxopiperazin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(2,2-dimethyl-3-oxopiperazin-1-yl)pyridine-3-carboxylic acid (CID 63606423) is 6-(2,2-dimethyl-3-oxopiperazin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2,2-dimethyl-3-oxopiperazin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(2,2-dimethyl-3-oxopiperazin-1-yl)pyridine-3-carboxylic acid is CC1(C)C(=O)NCCN1c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-(2,2-dimethyl-3-oxopiperazin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is WPAJVCPHQPERQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-12(2)11(18)13-5-6-15(12)9-4-3-8(7-14-9)10(16)17/h3-4,7H,5-6H2,1-2H3,(H,13,18)(H,16,17).
What are the key properties of 6-(2,2-dimethyl-3-oxopiperazin-1-yl)pyridine-3-carboxylic acid?
6-(2,2-dimethyl-3-oxopiperazin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethyl-3-oxopiperazin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 63606423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).