4-[4-(1-acetylpiperidin-4-yl)oxy-1,3-dihydroisoindol-2-yl]-5-methyl-1H-pyridazin-6-one

C20H24N4O3 — CID 160581923

IUPAC4-[4-(1-acetylpiperidin-4-yl)oxy-1,3-dihydroisoindol-2-yl]-5-methyl-1H-pyridazin-6-one
SMILESCC(=O)N1CCC(Oc2cccc3c2CN(c2cn[nH]c(=O)c2C)C3)CC1
InChIInChI=1S/C20H24N4O3/c1-13-18(10-21-22-20(13)26)24-11-15-4-3-5-19(17(15)12-24)27-16-6-8-23(9-7-16)14(2)25/h3-5,10,16H,6-9,11-12H2,1-2H3,(H,22,26)
InChIKeyRBWWQTFIAYOENG-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.99
Rot. Bonds3

About 4-[4-(1-acetylpiperidin-4-yl)oxy-1,3-dihydroisoindol-2-yl]-5-methyl-1H-pyridazin-6-one

4-[4-(1-acetylpiperidin-4-yl)oxy-1,3-dihydroisoindol-2-yl]-5-methyl-1H-pyridazin-6-one (PubChem CID 160581923) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-[4-(1-acetylpiperidin-4-yl)oxy-1,3-dihydroisoindol-2-yl]-5-methyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[4-(1-acetylpiperidin-4-yl)oxy-1,3-dihydroisoindol-2-yl]-5-methyl-1H-pyridazin-6-one
PubChem CID160581923
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name4-[4-(1-acetylpiperidin-4-yl)oxy-1,3-dihydroisoindol-2-yl]-5-methyl-1H-pyridazin-6-one
SMILESCC(=O)N1CCC(Oc2cccc3c2CN(c2cn[nH]c(=O)c2C)C3)CC1
InChIInChI=1S/C20H24N4O3/c1-13-18(10-21-22-20(13)26)24-11-15-4-3-5-19(17(15)12-24)27-16-6-8-23(9-7-16)14(2)25/h3-5,10,16H,6-9,11-12H2,1-2H3,(H,22,26)
InChIKeyRBWWQTFIAYOENG-UHFFFAOYSA-N
XLogP1.99
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-acetylpiperidin-4-yl)oxy-1,3-dihydroisoindol-2-yl]-5-methyl-1H-pyridazin-6-one?
The IUPAC name of 4-[4-(1-acetylpiperidin-4-yl)oxy-1,3-dihydroisoindol-2-yl]-5-methyl-1H-pyridazin-6-one (CID 160581923) is 4-[4-(1-acetylpiperidin-4-yl)oxy-1,3-dihydroisoindol-2-yl]-5-methyl-1H-pyridazin-6-one.
What is the SMILES notation for 4-[4-(1-acetylpiperidin-4-yl)oxy-1,3-dihydroisoindol-2-yl]-5-methyl-1H-pyridazin-6-one?
The canonical SMILES for 4-[4-(1-acetylpiperidin-4-yl)oxy-1,3-dihydroisoindol-2-yl]-5-methyl-1H-pyridazin-6-one is CC(=O)N1CCC(Oc2cccc3c2CN(c2cn[nH]c(=O)c2C)C3)CC1.
What is the InChIKey of 4-[4-(1-acetylpiperidin-4-yl)oxy-1,3-dihydroisoindol-2-yl]-5-methyl-1H-pyridazin-6-one?
The InChIKey is RBWWQTFIAYOENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-13-18(10-21-22-20(13)26)24-11-15-4-3-5-19(17(15)12-24)27-16-6-8-23(9-7-16)14(2)25/h3-5,10,16H,6-9,11-12H2,1-2H3,(H,22,26).
What are the key properties of 4-[4-(1-acetylpiperidin-4-yl)oxy-1,3-dihydroisoindol-2-yl]-5-methyl-1H-pyridazin-6-one?
4-[4-(1-acetylpiperidin-4-yl)oxy-1,3-dihydroisoindol-2-yl]-5-methyl-1H-pyridazin-6-one has a molecular weight of 368.44 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-acetylpiperidin-4-yl)oxy-1,3-dihydroisoindol-2-yl]-5-methyl-1H-pyridazin-6-one is sourced from PubChem (CID 160581923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).