3-phenyl-4-piperidin-1-yl-1H-pyridazin-6-one

C15H17N3O — CID 3845871

IUPAC3-phenyl-4-piperidin-1-yl-1H-pyridazin-6-one
SMILESO=c1cc(N2CCCCC2)c(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H17N3O/c19-14-11-13(18-9-5-2-6-10-18)15(17-16-14)12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,16,19)
InChIKeyRVTJSKAUBHADKA-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.43
Rot. Bonds2

About 3-phenyl-4-piperidin-1-yl-1H-pyridazin-6-one

3-phenyl-4-piperidin-1-yl-1H-pyridazin-6-one (PubChem CID 3845871) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-phenyl-4-piperidin-1-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-phenyl-4-piperidin-1-yl-1H-pyridazin-6-one
PubChem CID3845871
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name3-phenyl-4-piperidin-1-yl-1H-pyridazin-6-one
SMILESO=c1cc(N2CCCCC2)c(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H17N3O/c19-14-11-13(18-9-5-2-6-10-18)15(17-16-14)12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,16,19)
InChIKeyRVTJSKAUBHADKA-UHFFFAOYSA-N
XLogP2.43
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-piperidin-1-yl-1H-pyridazin-6-one?
The IUPAC name of 3-phenyl-4-piperidin-1-yl-1H-pyridazin-6-one (CID 3845871) is 3-phenyl-4-piperidin-1-yl-1H-pyridazin-6-one.
What is the SMILES notation for 3-phenyl-4-piperidin-1-yl-1H-pyridazin-6-one?
The canonical SMILES for 3-phenyl-4-piperidin-1-yl-1H-pyridazin-6-one is O=c1cc(N2CCCCC2)c(-c2ccccc2)n[nH]1.
What is the InChIKey of 3-phenyl-4-piperidin-1-yl-1H-pyridazin-6-one?
The InChIKey is RVTJSKAUBHADKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c19-14-11-13(18-9-5-2-6-10-18)15(17-16-14)12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,16,19).
What are the key properties of 3-phenyl-4-piperidin-1-yl-1H-pyridazin-6-one?
3-phenyl-4-piperidin-1-yl-1H-pyridazin-6-one has a molecular weight of 255.32 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-piperidin-1-yl-1H-pyridazin-6-one is sourced from PubChem (CID 3845871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).