5-(1-acetylpiperidin-4-yl)-3-methyl-1H-pyridazin-6-one

C12H17N3O2 — CID 143218053

IUPAC5-(1-acetylpiperidin-4-yl)-3-methyl-1H-pyridazin-6-one
SMILESCC(=O)N1CCC(c2cc(C)n[nH]c2=O)CC1
InChIInChI=1S/C12H17N3O2/c1-8-7-11(12(17)14-13-8)10-3-5-15(6-4-10)9(2)16/h7,10H,3-6H2,1-2H3,(H,14,17)
InChIKeyAAXDJIOAHTWGPK-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.80
Rot. Bonds1

About 5-(1-acetylpiperidin-4-yl)-3-methyl-1H-pyridazin-6-one

5-(1-acetylpiperidin-4-yl)-3-methyl-1H-pyridazin-6-one (PubChem CID 143218053) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-(1-acetylpiperidin-4-yl)-3-methyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(1-acetylpiperidin-4-yl)-3-methyl-1H-pyridazin-6-one
PubChem CID143218053
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name5-(1-acetylpiperidin-4-yl)-3-methyl-1H-pyridazin-6-one
SMILESCC(=O)N1CCC(c2cc(C)n[nH]c2=O)CC1
InChIInChI=1S/C12H17N3O2/c1-8-7-11(12(17)14-13-8)10-3-5-15(6-4-10)9(2)16/h7,10H,3-6H2,1-2H3,(H,14,17)
InChIKeyAAXDJIOAHTWGPK-UHFFFAOYSA-N
XLogP0.80
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-acetylpiperidin-4-yl)-3-methyl-1H-pyridazin-6-one?
The IUPAC name of 5-(1-acetylpiperidin-4-yl)-3-methyl-1H-pyridazin-6-one (CID 143218053) is 5-(1-acetylpiperidin-4-yl)-3-methyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-(1-acetylpiperidin-4-yl)-3-methyl-1H-pyridazin-6-one?
The canonical SMILES for 5-(1-acetylpiperidin-4-yl)-3-methyl-1H-pyridazin-6-one is CC(=O)N1CCC(c2cc(C)n[nH]c2=O)CC1.
What is the InChIKey of 5-(1-acetylpiperidin-4-yl)-3-methyl-1H-pyridazin-6-one?
The InChIKey is AAXDJIOAHTWGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-7-11(12(17)14-13-8)10-3-5-15(6-4-10)9(2)16/h7,10H,3-6H2,1-2H3,(H,14,17).
What are the key properties of 5-(1-acetylpiperidin-4-yl)-3-methyl-1H-pyridazin-6-one?
5-(1-acetylpiperidin-4-yl)-3-methyl-1H-pyridazin-6-one has a molecular weight of 235.29 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-acetylpiperidin-4-yl)-3-methyl-1H-pyridazin-6-one is sourced from PubChem (CID 143218053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).