3-methyl-1-(6-methylpyridazine-3-carbonyl)piperidine-3-carboxylic acid

C13H17N3O3 — CID 154841847

IUPAC3-methyl-1-(6-methylpyridazine-3-carbonyl)piperidine-3-carboxylic acid
SMILESCc1ccc(C(=O)N2CCCC(C)(C(=O)O)C2)nn1
InChIInChI=1S/C13H17N3O3/c1-9-4-5-10(15-14-9)11(17)16-7-3-6-13(2,8-16)12(18)19/h4-5H,3,6-8H2,1-2H3,(H,18,19)
InChIKeyOODNFMQQRNFRFQ-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.11
Rot. Bonds2

About 3-methyl-1-(6-methylpyridazine-3-carbonyl)piperidine-3-carboxylic acid

3-methyl-1-(6-methylpyridazine-3-carbonyl)piperidine-3-carboxylic acid (PubChem CID 154841847) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-methyl-1-(6-methylpyridazine-3-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(6-methylpyridazine-3-carbonyl)piperidine-3-carboxylic acid
PubChem CID154841847
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name3-methyl-1-(6-methylpyridazine-3-carbonyl)piperidine-3-carboxylic acid
SMILESCc1ccc(C(=O)N2CCCC(C)(C(=O)O)C2)nn1
InChIInChI=1S/C13H17N3O3/c1-9-4-5-10(15-14-9)11(17)16-7-3-6-13(2,8-16)12(18)19/h4-5H,3,6-8H2,1-2H3,(H,18,19)
InChIKeyOODNFMQQRNFRFQ-UHFFFAOYSA-N
XLogP1.11
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-1-(6-methylpyridazine-3-carbonyl)piperidine-3-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

1-(4-hydroxybenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 55166833
3-methyl-1-(5-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 55164526
1-(4-chlorobenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 55167027
3-methyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxylic acid
CID 63134382
1-(furan-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 63133574
3-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63142818
1-[4-(dimethylamino)benzoyl]-3-methylpiperidine-3-carboxylic acid
CID 63133492
3-methyl-1-(4-methylthiophene-3-carbonyl)piperidine-3-carboxylic acid
CID 79803046
3-methyl-1-(2,3,4-trifluorobenzoyl)piperidine-3-carboxylic acid
CID 79757244
1-(2-bromo-3-methylbenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 107981448
1-(6-chloropyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 63134102
1-(5-chlorofuran-2-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 63133539

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(6-methylpyridazine-3-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(6-methylpyridazine-3-carbonyl)piperidine-3-carboxylic acid (CID 154841847) is 3-methyl-1-(6-methylpyridazine-3-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(6-methylpyridazine-3-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(6-methylpyridazine-3-carbonyl)piperidine-3-carboxylic acid is Cc1ccc(C(=O)N2CCCC(C)(C(=O)O)C2)nn1.
What is the InChIKey of 3-methyl-1-(6-methylpyridazine-3-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is OODNFMQQRNFRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-9-4-5-10(15-14-9)11(17)16-7-3-6-13(2,8-16)12(18)19/h4-5H,3,6-8H2,1-2H3,(H,18,19).
What are the key properties of 3-methyl-1-(6-methylpyridazine-3-carbonyl)piperidine-3-carboxylic acid?
3-methyl-1-(6-methylpyridazine-3-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(6-methylpyridazine-3-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 154841847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).