6-phenyl-2-piperidin-4-ylpyridazin-3-one

C15H17N3O — CID 82105182

IUPAC6-phenyl-2-piperidin-4-ylpyridazin-3-one
SMILESO=c1ccc(-c2ccccc2)nn1C1CCNCC1
InChIInChI=1S/C15H17N3O/c19-15-7-6-14(12-4-2-1-3-5-12)17-18(15)13-8-10-16-11-9-13/h1-7,13,16H,8-11H2
InChIKeyHGXQWFBWMIVRKS-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.83
Rot. Bonds2

About 6-phenyl-2-piperidin-4-ylpyridazin-3-one

6-phenyl-2-piperidin-4-ylpyridazin-3-one (PubChem CID 82105182) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 6-phenyl-2-piperidin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name6-phenyl-2-piperidin-4-ylpyridazin-3-one
PubChem CID82105182
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name6-phenyl-2-piperidin-4-ylpyridazin-3-one
SMILESO=c1ccc(-c2ccccc2)nn1C1CCNCC1
InChIInChI=1S/C15H17N3O/c19-15-7-6-14(12-4-2-1-3-5-12)17-18(15)13-8-10-16-11-9-13/h1-7,13,16H,8-11H2
InChIKeyHGXQWFBWMIVRKS-UHFFFAOYSA-N
XLogP1.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-piperidin-4-ylpyridazin-3-one?
The IUPAC name of 6-phenyl-2-piperidin-4-ylpyridazin-3-one (CID 82105182) is 6-phenyl-2-piperidin-4-ylpyridazin-3-one.
What is the SMILES notation for 6-phenyl-2-piperidin-4-ylpyridazin-3-one?
The canonical SMILES for 6-phenyl-2-piperidin-4-ylpyridazin-3-one is O=c1ccc(-c2ccccc2)nn1C1CCNCC1.
What is the InChIKey of 6-phenyl-2-piperidin-4-ylpyridazin-3-one?
The InChIKey is HGXQWFBWMIVRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c19-15-7-6-14(12-4-2-1-3-5-12)17-18(15)13-8-10-16-11-9-13/h1-7,13,16H,8-11H2.
What are the key properties of 6-phenyl-2-piperidin-4-ylpyridazin-3-one?
6-phenyl-2-piperidin-4-ylpyridazin-3-one has a molecular weight of 255.32 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-piperidin-4-ylpyridazin-3-one is sourced from PubChem (CID 82105182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).