2-(2-oxo-2-piperidin-1-ylethyl)-6-phenylpyridazin-3-one

C17H19N3O2 — CID 5057198

IUPAC2-(2-oxo-2-piperidin-1-ylethyl)-6-phenylpyridazin-3-one
SMILESO=C(Cn1nc(-c2ccccc2)ccc1=O)N1CCCCC1
InChIInChI=1S/C17H19N3O2/c21-16-10-9-15(14-7-3-1-4-8-14)18-20(16)13-17(22)19-11-5-2-6-12-19/h1,3-4,7-10H,2,5-6,11-13H2
InChIKeyJFVMANGBCPFWID-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.92
Rot. Bonds3

About 2-(2-oxo-2-piperidin-1-ylethyl)-6-phenylpyridazin-3-one

2-(2-oxo-2-piperidin-1-ylethyl)-6-phenylpyridazin-3-one (PubChem CID 5057198) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-(2-oxo-2-piperidin-1-ylethyl)-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name2-(2-oxo-2-piperidin-1-ylethyl)-6-phenylpyridazin-3-one
PubChem CID5057198
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-(2-oxo-2-piperidin-1-ylethyl)-6-phenylpyridazin-3-one
SMILESO=C(Cn1nc(-c2ccccc2)ccc1=O)N1CCCCC1
InChIInChI=1S/C17H19N3O2/c21-16-10-9-15(14-7-3-1-4-8-14)18-20(16)13-17(22)19-11-5-2-6-12-19/h1,3-4,7-10H,2,5-6,11-13H2
InChIKeyJFVMANGBCPFWID-UHFFFAOYSA-N
XLogP1.92
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-2-piperidin-1-ylethyl)-6-phenylpyridazin-3-one?
The IUPAC name of 2-(2-oxo-2-piperidin-1-ylethyl)-6-phenylpyridazin-3-one (CID 5057198) is 2-(2-oxo-2-piperidin-1-ylethyl)-6-phenylpyridazin-3-one.
What is the SMILES notation for 2-(2-oxo-2-piperidin-1-ylethyl)-6-phenylpyridazin-3-one?
The canonical SMILES for 2-(2-oxo-2-piperidin-1-ylethyl)-6-phenylpyridazin-3-one is O=C(Cn1nc(-c2ccccc2)ccc1=O)N1CCCCC1.
What is the InChIKey of 2-(2-oxo-2-piperidin-1-ylethyl)-6-phenylpyridazin-3-one?
The InChIKey is JFVMANGBCPFWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-16-10-9-15(14-7-3-1-4-8-14)18-20(16)13-17(22)19-11-5-2-6-12-19/h1,3-4,7-10H,2,5-6,11-13H2.
What are the key properties of 2-(2-oxo-2-piperidin-1-ylethyl)-6-phenylpyridazin-3-one?
2-(2-oxo-2-piperidin-1-ylethyl)-6-phenylpyridazin-3-one has a molecular weight of 297.36 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-2-piperidin-1-ylethyl)-6-phenylpyridazin-3-one is sourced from PubChem (CID 5057198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).