6-[(2,2,4-trimethyl-3-oxopiperazin-1-yl)methyl]pyridine-2-carboxylic acid

C14H19N3O3 — CID 106904239

IUPAC6-[(2,2,4-trimethyl-3-oxopiperazin-1-yl)methyl]pyridine-2-carboxylic acid
SMILESCN1CCN(Cc2cccc(C(=O)O)n2)C(C)(C)C1=O
InChIInChI=1S/C14H19N3O3/c1-14(2)13(20)16(3)7-8-17(14)9-10-5-4-6-11(15-10)12(18)19/h4-6H,7-9H2,1-3H3,(H,18,19)
InChIKeyAWFDHTVMWHWSQK-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.83
Rot. Bonds3

About 6-[(2,2,4-trimethyl-3-oxopiperazin-1-yl)methyl]pyridine-2-carboxylic acid

6-[(2,2,4-trimethyl-3-oxopiperazin-1-yl)methyl]pyridine-2-carboxylic acid (PubChem CID 106904239) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 6-[(2,2,4-trimethyl-3-oxopiperazin-1-yl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2,2,4-trimethyl-3-oxopiperazin-1-yl)methyl]pyridine-2-carboxylic acid
PubChem CID106904239
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name6-[(2,2,4-trimethyl-3-oxopiperazin-1-yl)methyl]pyridine-2-carboxylic acid
SMILESCN1CCN(Cc2cccc(C(=O)O)n2)C(C)(C)C1=O
InChIInChI=1S/C14H19N3O3/c1-14(2)13(20)16(3)7-8-17(14)9-10-5-4-6-11(15-10)12(18)19/h4-6H,7-9H2,1-3H3,(H,18,19)
InChIKeyAWFDHTVMWHWSQK-UHFFFAOYSA-N
XLogP0.83
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(2,2,4-trimethyl-3-oxopiperazin-1-yl)methyl]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-chloropyrimidin-4-yl)methyl]-1,3,3-trimethylpiperazin-2-one
CID 112751149
6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106904146
6-[(3,3-dimethyl-2-oxoindol-1-yl)methyl]pyridine-2-carboxylic acid
CID 178053194
6-(azepan-1-ylmethyl)pyridine-2-carboxylic acid
CID 106903922
6-(pyrrolidin-1-ylmethyl)pyridine-2-carboxylic acid;dihydrochloride
CID 56773487
6-[(methylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 84676608
6-[(1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]pyridine-2-carboxylic acid
CID 106903727
6-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]pyridine-2-carboxylic acid
CID 106903622
ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid
CID 166148097
6-[(2-ethyl-3,5-dioxopiperazin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106904217
6-[[16-[[6-[[16-[(6-carboxy-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]-2-pyridinyl]methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylic acid
CID 164597861
6-[(4-methoxypiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106903971

Frequently Asked Questions

What is the IUPAC name of 6-[(2,2,4-trimethyl-3-oxopiperazin-1-yl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2,2,4-trimethyl-3-oxopiperazin-1-yl)methyl]pyridine-2-carboxylic acid (CID 106904239) is 6-[(2,2,4-trimethyl-3-oxopiperazin-1-yl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2,2,4-trimethyl-3-oxopiperazin-1-yl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2,2,4-trimethyl-3-oxopiperazin-1-yl)methyl]pyridine-2-carboxylic acid is CN1CCN(Cc2cccc(C(=O)O)n2)C(C)(C)C1=O.
What is the InChIKey of 6-[(2,2,4-trimethyl-3-oxopiperazin-1-yl)methyl]pyridine-2-carboxylic acid?
The InChIKey is AWFDHTVMWHWSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-14(2)13(20)16(3)7-8-17(14)9-10-5-4-6-11(15-10)12(18)19/h4-6H,7-9H2,1-3H3,(H,18,19).
What are the key properties of 6-[(2,2,4-trimethyl-3-oxopiperazin-1-yl)methyl]pyridine-2-carboxylic acid?
6-[(2,2,4-trimethyl-3-oxopiperazin-1-yl)methyl]pyridine-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,2,4-trimethyl-3-oxopiperazin-1-yl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106904239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).