1-(6-methoxypyridazin-4-yl)piperidine-4-carboxylic acid

C11H15N3O3 — CID 91812141

IUPAC1-(6-methoxypyridazin-4-yl)piperidine-4-carboxylic acid
SMILESCOc1cc(N2CCC(C(=O)O)CC2)cnn1
InChIInChI=1S/C11H15N3O3/c1-17-10-6-9(7-12-13-10)14-4-2-8(3-5-14)11(15)16/h6-8H,2-5H2,1H3,(H,15,16)
InChIKeyPEZSGCBYZIDCCM-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.79
Rot. Bonds3

About 1-(6-methoxypyridazin-4-yl)piperidine-4-carboxylic acid

1-(6-methoxypyridazin-4-yl)piperidine-4-carboxylic acid (PubChem CID 91812141) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(6-methoxypyridazin-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(6-methoxypyridazin-4-yl)piperidine-4-carboxylic acid
PubChem CID91812141
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name1-(6-methoxypyridazin-4-yl)piperidine-4-carboxylic acid
SMILESCOc1cc(N2CCC(C(=O)O)CC2)cnn1
InChIInChI=1S/C11H15N3O3/c1-17-10-6-9(7-12-13-10)14-4-2-8(3-5-14)11(15)16/h6-8H,2-5H2,1H3,(H,15,16)
InChIKeyPEZSGCBYZIDCCM-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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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyridazin-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(6-methoxypyridazin-4-yl)piperidine-4-carboxylic acid (CID 91812141) is 1-(6-methoxypyridazin-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(6-methoxypyridazin-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(6-methoxypyridazin-4-yl)piperidine-4-carboxylic acid is COc1cc(N2CCC(C(=O)O)CC2)cnn1.
What is the InChIKey of 1-(6-methoxypyridazin-4-yl)piperidine-4-carboxylic acid?
The InChIKey is PEZSGCBYZIDCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-17-10-6-9(7-12-13-10)14-4-2-8(3-5-14)11(15)16/h6-8H,2-5H2,1H3,(H,15,16).
What are the key properties of 1-(6-methoxypyridazin-4-yl)piperidine-4-carboxylic acid?
1-(6-methoxypyridazin-4-yl)piperidine-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 1-(6-methoxypyridazin-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 91812141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).