6-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one

C12H17N3O3 — CID 132587178

IUPAC6-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one
SMILESCOc1ccc(=O)n(CC(=O)N2CCCCC2)n1
InChIInChI=1S/C12H17N3O3/c1-18-10-5-6-11(16)15(13-10)9-12(17)14-7-3-2-4-8-14/h5-6H,2-4,7-9H2,1H3
InChIKeyNGBWTSBIAOIGLB-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.26
Rot. Bonds3

About 6-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one

6-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one (PubChem CID 132587178) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 6-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one
PubChem CID132587178
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name6-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one
SMILESCOc1ccc(=O)n(CC(=O)N2CCCCC2)n1
InChIInChI=1S/C12H17N3O3/c1-18-10-5-6-11(16)15(13-10)9-12(17)14-7-3-2-4-8-14/h5-6H,2-4,7-9H2,1H3
InChIKeyNGBWTSBIAOIGLB-UHFFFAOYSA-N
XLogP0.26
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one?
The IUPAC name of 6-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one (CID 132587178) is 6-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one.
What is the SMILES notation for 6-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one?
The canonical SMILES for 6-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one is COc1ccc(=O)n(CC(=O)N2CCCCC2)n1.
What is the InChIKey of 6-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one?
The InChIKey is NGBWTSBIAOIGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-18-10-5-6-11(16)15(13-10)9-12(17)14-7-3-2-4-8-14/h5-6H,2-4,7-9H2,1H3.
What are the key properties of 6-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one?
6-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one has a molecular weight of 251.29 g/mol, XLogP of 0.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one is sourced from PubChem (CID 132587178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).