3-(2-methoxyethyl)-1-pyridazin-3-ylpiperidine-3-carboxylic acid

C13H19N3O3 — CID 86283726

IUPAC3-(2-methoxyethyl)-1-pyridazin-3-ylpiperidine-3-carboxylic acid
SMILESCOCCC1(C(=O)O)CCCN(c2cccnn2)C1
InChIInChI=1S/C13H19N3O3/c1-19-9-6-13(12(17)18)5-3-8-16(10-13)11-4-2-7-14-15-11/h2,4,7H,3,5-6,8-10H2,1H3,(H,17,18)
InChIKeyJOZNMMBSXUBYNL-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.18
Rot. Bonds5

About 3-(2-methoxyethyl)-1-pyridazin-3-ylpiperidine-3-carboxylic acid

3-(2-methoxyethyl)-1-pyridazin-3-ylpiperidine-3-carboxylic acid (PubChem CID 86283726) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-1-pyridazin-3-ylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(2-methoxyethyl)-1-pyridazin-3-ylpiperidine-3-carboxylic acid
PubChem CID86283726
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-(2-methoxyethyl)-1-pyridazin-3-ylpiperidine-3-carboxylic acid
SMILESCOCCC1(C(=O)O)CCCN(c2cccnn2)C1
InChIInChI=1S/C13H19N3O3/c1-19-9-6-13(12(17)18)5-3-8-16(10-13)11-4-2-7-14-15-11/h2,4,7H,3,5-6,8-10H2,1H3,(H,17,18)
InChIKeyJOZNMMBSXUBYNL-UHFFFAOYSA-N
XLogP1.18
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-1-pyridazin-3-ylpiperidine-3-carboxylic acid?
The IUPAC name of 3-(2-methoxyethyl)-1-pyridazin-3-ylpiperidine-3-carboxylic acid (CID 86283726) is 3-(2-methoxyethyl)-1-pyridazin-3-ylpiperidine-3-carboxylic acid.
What is the SMILES notation for 3-(2-methoxyethyl)-1-pyridazin-3-ylpiperidine-3-carboxylic acid?
The canonical SMILES for 3-(2-methoxyethyl)-1-pyridazin-3-ylpiperidine-3-carboxylic acid is COCCC1(C(=O)O)CCCN(c2cccnn2)C1.
What is the InChIKey of 3-(2-methoxyethyl)-1-pyridazin-3-ylpiperidine-3-carboxylic acid?
The InChIKey is JOZNMMBSXUBYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-19-9-6-13(12(17)18)5-3-8-16(10-13)11-4-2-7-14-15-11/h2,4,7H,3,5-6,8-10H2,1H3,(H,17,18).
What are the key properties of 3-(2-methoxyethyl)-1-pyridazin-3-ylpiperidine-3-carboxylic acid?
3-(2-methoxyethyl)-1-pyridazin-3-ylpiperidine-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-1-pyridazin-3-ylpiperidine-3-carboxylic acid is sourced from PubChem (CID 86283726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).