1-[2-(6-oxopyridazin-1-yl)acetyl]piperidine-4-carboxylic acid

C12H15N3O4 — CID 55126730

IUPAC1-[2-(6-oxopyridazin-1-yl)acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Cn2ncccc2=O)CC1
InChIInChI=1S/C12H15N3O4/c16-10-2-1-5-13-15(10)8-11(17)14-6-3-9(4-7-14)12(18)19/h1-2,5,9H,3-4,6-8H2,(H,18,19)
InChIKeyGKZMTSZUQQXZHG-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.43
Rot. Bonds3

About 1-[2-(6-oxopyridazin-1-yl)acetyl]piperidine-4-carboxylic acid

1-[2-(6-oxopyridazin-1-yl)acetyl]piperidine-4-carboxylic acid (PubChem CID 55126730) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 1-[2-(6-oxopyridazin-1-yl)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(6-oxopyridazin-1-yl)acetyl]piperidine-4-carboxylic acid
PubChem CID55126730
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name1-[2-(6-oxopyridazin-1-yl)acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Cn2ncccc2=O)CC1
InChIInChI=1S/C12H15N3O4/c16-10-2-1-5-13-15(10)8-11(17)14-6-3-9(4-7-14)12(18)19/h1-2,5,9H,3-4,6-8H2,(H,18,19)
InChIKeyGKZMTSZUQQXZHG-UHFFFAOYSA-N
XLogP-0.43
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-oxopyridazin-1-yl)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(6-oxopyridazin-1-yl)acetyl]piperidine-4-carboxylic acid (CID 55126730) is 1-[2-(6-oxopyridazin-1-yl)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(6-oxopyridazin-1-yl)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(6-oxopyridazin-1-yl)acetyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)Cn2ncccc2=O)CC1.
What is the InChIKey of 1-[2-(6-oxopyridazin-1-yl)acetyl]piperidine-4-carboxylic acid?
The InChIKey is GKZMTSZUQQXZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c16-10-2-1-5-13-15(10)8-11(17)14-6-3-9(4-7-14)12(18)19/h1-2,5,9H,3-4,6-8H2,(H,18,19).
What are the key properties of 1-[2-(6-oxopyridazin-1-yl)acetyl]piperidine-4-carboxylic acid?
1-[2-(6-oxopyridazin-1-yl)acetyl]piperidine-4-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of -0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-oxopyridazin-1-yl)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 55126730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).