2-(4-oxohexyl)-5-piperidin-1-ylpyridazin-3-one

C15H23N3O2 — CID 106801875

IUPAC2-(4-oxohexyl)-5-piperidin-1-ylpyridazin-3-one
SMILESCCC(=O)CCCn1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C15H23N3O2/c1-2-14(19)7-6-10-18-15(20)11-13(12-16-18)17-8-4-3-5-9-17/h11-12H,2-10H2,1H3
InChIKeyLTHALVKFUWGSMW-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.99
Rot. Bonds6

About 2-(4-oxohexyl)-5-piperidin-1-ylpyridazin-3-one

2-(4-oxohexyl)-5-piperidin-1-ylpyridazin-3-one (PubChem CID 106801875) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(4-oxohexyl)-5-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(4-oxohexyl)-5-piperidin-1-ylpyridazin-3-one
PubChem CID106801875
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-(4-oxohexyl)-5-piperidin-1-ylpyridazin-3-one
SMILESCCC(=O)CCCn1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C15H23N3O2/c1-2-14(19)7-6-10-18-15(20)11-13(12-16-18)17-8-4-3-5-9-17/h11-12H,2-10H2,1H3
InChIKeyLTHALVKFUWGSMW-UHFFFAOYSA-N
XLogP1.99
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-oxohexyl)-5-piperidin-1-ylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxohexyl)-5-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 2-(4-oxohexyl)-5-piperidin-1-ylpyridazin-3-one (CID 106801875) is 2-(4-oxohexyl)-5-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-(4-oxohexyl)-5-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-(4-oxohexyl)-5-piperidin-1-ylpyridazin-3-one is CCC(=O)CCCn1ncc(N2CCCCC2)cc1=O.
What is the InChIKey of 2-(4-oxohexyl)-5-piperidin-1-ylpyridazin-3-one?
The InChIKey is LTHALVKFUWGSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-14(19)7-6-10-18-15(20)11-13(12-16-18)17-8-4-3-5-9-17/h11-12H,2-10H2,1H3.
What are the key properties of 2-(4-oxohexyl)-5-piperidin-1-ylpyridazin-3-one?
2-(4-oxohexyl)-5-piperidin-1-ylpyridazin-3-one has a molecular weight of 277.37 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxohexyl)-5-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 106801875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).