3-(4-methoxypiperidin-1-yl)pyridazine-4-carboxylic acid

C11H15N3O3 — CID 80517729

IUPAC3-(4-methoxypiperidin-1-yl)pyridazine-4-carboxylic acid
SMILESCOC1CCN(c2nnccc2C(=O)O)CC1
InChIInChI=1S/C11H15N3O3/c1-17-8-3-6-14(7-4-8)10-9(11(15)16)2-5-12-13-10/h2,5,8H,3-4,6-7H2,1H3,(H,15,16)
InChIKeyXKZOBRWNXTZIDM-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.79
Rot. Bonds3

About 3-(4-methoxypiperidin-1-yl)pyridazine-4-carboxylic acid

3-(4-methoxypiperidin-1-yl)pyridazine-4-carboxylic acid (PubChem CID 80517729) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-(4-methoxypiperidin-1-yl)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-methoxypiperidin-1-yl)pyridazine-4-carboxylic acid
PubChem CID80517729
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-(4-methoxypiperidin-1-yl)pyridazine-4-carboxylic acid
SMILESCOC1CCN(c2nnccc2C(=O)O)CC1
InChIInChI=1S/C11H15N3O3/c1-17-8-3-6-14(7-4-8)10-9(11(15)16)2-5-12-13-10/h2,5,8H,3-4,6-7H2,1H3,(H,15,16)
InChIKeyXKZOBRWNXTZIDM-UHFFFAOYSA-N
XLogP0.79
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-pyrrolidin-1-ylpyridazine-4-carboxylic acid
CID 80517688
3-(4-methoxypiperidin-1-yl)-1-methylpyrazole-4-carboxylic acid
CID 146256742
3-(3-phenylpyrrolidin-1-yl)pyridazine-4-carboxylic acid
CID 80516938
3-[3-(dimethylamino)piperidin-1-yl]pyridazine-4-carboxylic acid
CID 80517330
2-(4-methoxypiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62702679
3-bromo-2-(4-methoxypiperidin-1-yl)pyridine
CID 61375060
2-(4-methoxypiperidine-1-carbonyl)benzoic acid
CID 43372663
6-(3-methoxypyrrolidin-1-yl)pyridazine-3-carboxylic acid
CID 103534319
methoxycyclopentane;2-methylbenzene-1,3-dicarboxylic acid
CID 174894159
6-methoxy-3-(4-methylpiperidin-1-yl)pyridazine-4-carboxylic acid
CID 117102613
3-[(2-methylcyclohexyl)amino]pyridazine-4-carboxylic acid
CID 80517843
2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129359483

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxypiperidin-1-yl)pyridazine-4-carboxylic acid?
The IUPAC name of 3-(4-methoxypiperidin-1-yl)pyridazine-4-carboxylic acid (CID 80517729) is 3-(4-methoxypiperidin-1-yl)pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-(4-methoxypiperidin-1-yl)pyridazine-4-carboxylic acid?
The canonical SMILES for 3-(4-methoxypiperidin-1-yl)pyridazine-4-carboxylic acid is COC1CCN(c2nnccc2C(=O)O)CC1.
What is the InChIKey of 3-(4-methoxypiperidin-1-yl)pyridazine-4-carboxylic acid?
The InChIKey is XKZOBRWNXTZIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-17-8-3-6-14(7-4-8)10-9(11(15)16)2-5-12-13-10/h2,5,8H,3-4,6-7H2,1H3,(H,15,16).
What are the key properties of 3-(4-methoxypiperidin-1-yl)pyridazine-4-carboxylic acid?
3-(4-methoxypiperidin-1-yl)pyridazine-4-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxypiperidin-1-yl)pyridazine-4-carboxylic acid is sourced from PubChem (CID 80517729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).