6-phenyl-5-piperidin-1-yl-2-prop-2-enylpyridazin-3-one

C18H21N3O — CID 1472488

IUPAC6-phenyl-5-piperidin-1-yl-2-prop-2-enylpyridazin-3-one
SMILESC=CCn1nc(-c2ccccc2)c(N2CCCCC2)cc1=O
InChIInChI=1S/C18H21N3O/c1-2-11-21-17(22)14-16(20-12-7-4-8-13-20)18(19-21)15-9-5-3-6-10-15/h2-3,5-6,9-10,14H,1,4,7-8,11-13H2
InChIKeyCUXLJZCGLQCOFH-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.09
Rot. Bonds4

About 6-phenyl-5-piperidin-1-yl-2-prop-2-enylpyridazin-3-one

6-phenyl-5-piperidin-1-yl-2-prop-2-enylpyridazin-3-one (PubChem CID 1472488) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 6-phenyl-5-piperidin-1-yl-2-prop-2-enylpyridazin-3-one.

Molecular Properties

Compound Name6-phenyl-5-piperidin-1-yl-2-prop-2-enylpyridazin-3-one
PubChem CID1472488
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name6-phenyl-5-piperidin-1-yl-2-prop-2-enylpyridazin-3-one
SMILESC=CCn1nc(-c2ccccc2)c(N2CCCCC2)cc1=O
InChIInChI=1S/C18H21N3O/c1-2-11-21-17(22)14-16(20-12-7-4-8-13-20)18(19-21)15-9-5-3-6-10-15/h2-3,5-6,9-10,14H,1,4,7-8,11-13H2
InChIKeyCUXLJZCGLQCOFH-UHFFFAOYSA-N
XLogP3.09
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-5-piperidin-1-yl-2-prop-2-enylpyridazin-3-one?
The IUPAC name of 6-phenyl-5-piperidin-1-yl-2-prop-2-enylpyridazin-3-one (CID 1472488) is 6-phenyl-5-piperidin-1-yl-2-prop-2-enylpyridazin-3-one.
What is the SMILES notation for 6-phenyl-5-piperidin-1-yl-2-prop-2-enylpyridazin-3-one?
The canonical SMILES for 6-phenyl-5-piperidin-1-yl-2-prop-2-enylpyridazin-3-one is C=CCn1nc(-c2ccccc2)c(N2CCCCC2)cc1=O.
What is the InChIKey of 6-phenyl-5-piperidin-1-yl-2-prop-2-enylpyridazin-3-one?
The InChIKey is CUXLJZCGLQCOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-2-11-21-17(22)14-16(20-12-7-4-8-13-20)18(19-21)15-9-5-3-6-10-15/h2-3,5-6,9-10,14H,1,4,7-8,11-13H2.
What are the key properties of 6-phenyl-5-piperidin-1-yl-2-prop-2-enylpyridazin-3-one?
6-phenyl-5-piperidin-1-yl-2-prop-2-enylpyridazin-3-one has a molecular weight of 295.39 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-5-piperidin-1-yl-2-prop-2-enylpyridazin-3-one is sourced from PubChem (CID 1472488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).