2-(1-benzoylpiperidin-4-yl)-6-(4-chloro-2-methoxyphenyl)pyridazin-3-one

C23H22ClN3O3 — CID 177184137

IUPAC2-(1-benzoylpiperidin-4-yl)-6-(4-chloro-2-methoxyphenyl)pyridazin-3-one
SMILESCOc1cc(Cl)ccc1-c1ccc(=O)n(C2CCN(C(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C23H22ClN3O3/c1-30-21-15-17(24)7-8-19(21)20-9-10-22(28)27(25-20)18-11-13-26(14-12-18)23(29)16-5-3-2-4-6-16/h2-10,15,18H,11-14H2,1H3
InChIKeyYMNVQIPRMIDAPL-UHFFFAOYSA-N
MW423.90 g/mol
LogP4.05
Rot. Bonds4

About 2-(1-benzoylpiperidin-4-yl)-6-(4-chloro-2-methoxyphenyl)pyridazin-3-one

2-(1-benzoylpiperidin-4-yl)-6-(4-chloro-2-methoxyphenyl)pyridazin-3-one (PubChem CID 177184137) has the molecular formula C23H22ClN3O3 and a molecular weight of 423.90 g/mol. Its IUPAC name is 2-(1-benzoylpiperidin-4-yl)-6-(4-chloro-2-methoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(1-benzoylpiperidin-4-yl)-6-(4-chloro-2-methoxyphenyl)pyridazin-3-one
PubChem CID177184137
Molecular FormulaC23H22ClN3O3
Molecular Weight423.90 g/mol
Exact Mass423.13
IUPAC Name2-(1-benzoylpiperidin-4-yl)-6-(4-chloro-2-methoxyphenyl)pyridazin-3-one
SMILESCOc1cc(Cl)ccc1-c1ccc(=O)n(C2CCN(C(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C23H22ClN3O3/c1-30-21-15-17(24)7-8-19(21)20-9-10-22(28)27(25-20)18-11-13-26(14-12-18)23(29)16-5-3-2-4-6-16/h2-10,15,18H,11-14H2,1H3
InChIKeyYMNVQIPRMIDAPL-UHFFFAOYSA-N
XLogP4.05
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzoylpiperidin-4-yl)-6-(4-chloro-2-methoxyphenyl)pyridazin-3-one?
The IUPAC name of 2-(1-benzoylpiperidin-4-yl)-6-(4-chloro-2-methoxyphenyl)pyridazin-3-one (CID 177184137) is 2-(1-benzoylpiperidin-4-yl)-6-(4-chloro-2-methoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 2-(1-benzoylpiperidin-4-yl)-6-(4-chloro-2-methoxyphenyl)pyridazin-3-one?
The canonical SMILES for 2-(1-benzoylpiperidin-4-yl)-6-(4-chloro-2-methoxyphenyl)pyridazin-3-one is COc1cc(Cl)ccc1-c1ccc(=O)n(C2CCN(C(=O)c3ccccc3)CC2)n1.
What is the InChIKey of 2-(1-benzoylpiperidin-4-yl)-6-(4-chloro-2-methoxyphenyl)pyridazin-3-one?
The InChIKey is YMNVQIPRMIDAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O3/c1-30-21-15-17(24)7-8-19(21)20-9-10-22(28)27(25-20)18-11-13-26(14-12-18)23(29)16-5-3-2-4-6-16/h2-10,15,18H,11-14H2,1H3.
What are the key properties of 2-(1-benzoylpiperidin-4-yl)-6-(4-chloro-2-methoxyphenyl)pyridazin-3-one?
2-(1-benzoylpiperidin-4-yl)-6-(4-chloro-2-methoxyphenyl)pyridazin-3-one has a molecular weight of 423.90 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzoylpiperidin-4-yl)-6-(4-chloro-2-methoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 177184137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).