6-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-2-phenyl-4,5-dihydropyridazin-3-one

C23H25N3O3 — CID 44513643

IUPAC6-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-2-phenyl-4,5-dihydropyridazin-3-one
SMILESO=C(COc1ccc(C2=NN(c3ccccc3)C(=O)CC2)cc1)N1CCCCC1
InChIInChI=1S/C23H25N3O3/c27-22-14-13-21(24-26(22)19-7-3-1-4-8-19)18-9-11-20(12-10-18)29-17-23(28)25-15-5-2-6-16-25/h1,3-4,7-12H,2,5-6,13-17H2
InChIKeyKWBUGJYODWAHGA-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.61
Rot. Bonds5

About 6-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-2-phenyl-4,5-dihydropyridazin-3-one

6-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-2-phenyl-4,5-dihydropyridazin-3-one (PubChem CID 44513643) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 6-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-2-phenyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-2-phenyl-4,5-dihydropyridazin-3-one
PubChem CID44513643
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name6-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-2-phenyl-4,5-dihydropyridazin-3-one
SMILESO=C(COc1ccc(C2=NN(c3ccccc3)C(=O)CC2)cc1)N1CCCCC1
InChIInChI=1S/C23H25N3O3/c27-22-14-13-21(24-26(22)19-7-3-1-4-8-19)18-9-11-20(12-10-18)29-17-23(28)25-15-5-2-6-16-25/h1,3-4,7-12H,2,5-6,13-17H2
InChIKeyKWBUGJYODWAHGA-UHFFFAOYSA-N
XLogP3.61
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-2-phenyl-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-2-phenyl-4,5-dihydropyridazin-3-one (CID 44513643) is 6-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-2-phenyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-2-phenyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-2-phenyl-4,5-dihydropyridazin-3-one is O=C(COc1ccc(C2=NN(c3ccccc3)C(=O)CC2)cc1)N1CCCCC1.
What is the InChIKey of 6-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-2-phenyl-4,5-dihydropyridazin-3-one?
The InChIKey is KWBUGJYODWAHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c27-22-14-13-21(24-26(22)19-7-3-1-4-8-19)18-9-11-20(12-10-18)29-17-23(28)25-15-5-2-6-16-25/h1,3-4,7-12H,2,5-6,13-17H2.
What are the key properties of 6-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-2-phenyl-4,5-dihydropyridazin-3-one?
6-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-2-phenyl-4,5-dihydropyridazin-3-one has a molecular weight of 391.47 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-2-phenyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 44513643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).