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

C16H19N3O — CID 66510155

IUPAC5-methyl-6-phenyl-2-piperidin-4-ylpyridazin-3-one
SMILESCc1cc(=O)n(C2CCNCC2)nc1-c1ccccc1
InChIInChI=1S/C16H19N3O/c1-12-11-15(20)19(14-7-9-17-10-8-14)18-16(12)13-5-3-2-4-6-13/h2-6,11,14,17H,7-10H2,1H3
InChIKeyTWZULJZXADJJPI-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.14
Rot. Bonds2

About 5-methyl-6-phenyl-2-piperidin-4-ylpyridazin-3-one

5-methyl-6-phenyl-2-piperidin-4-ylpyridazin-3-one (PubChem CID 66510155) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-methyl-6-phenyl-2-piperidin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name5-methyl-6-phenyl-2-piperidin-4-ylpyridazin-3-one
PubChem CID66510155
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name5-methyl-6-phenyl-2-piperidin-4-ylpyridazin-3-one
SMILESCc1cc(=O)n(C2CCNCC2)nc1-c1ccccc1
InChIInChI=1S/C16H19N3O/c1-12-11-15(20)19(14-7-9-17-10-8-14)18-16(12)13-5-3-2-4-6-13/h2-6,11,14,17H,7-10H2,1H3
InChIKeyTWZULJZXADJJPI-UHFFFAOYSA-N
XLogP2.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-phenyl-2-piperidin-4-ylpyridazin-3-one?
The IUPAC name of 5-methyl-6-phenyl-2-piperidin-4-ylpyridazin-3-one (CID 66510155) is 5-methyl-6-phenyl-2-piperidin-4-ylpyridazin-3-one.
What is the SMILES notation for 5-methyl-6-phenyl-2-piperidin-4-ylpyridazin-3-one?
The canonical SMILES for 5-methyl-6-phenyl-2-piperidin-4-ylpyridazin-3-one is Cc1cc(=O)n(C2CCNCC2)nc1-c1ccccc1.
What is the InChIKey of 5-methyl-6-phenyl-2-piperidin-4-ylpyridazin-3-one?
The InChIKey is TWZULJZXADJJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-11-15(20)19(14-7-9-17-10-8-14)18-16(12)13-5-3-2-4-6-13/h2-6,11,14,17H,7-10H2,1H3.
What are the key properties of 5-methyl-6-phenyl-2-piperidin-4-ylpyridazin-3-one?
5-methyl-6-phenyl-2-piperidin-4-ylpyridazin-3-one has a molecular weight of 269.35 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-phenyl-2-piperidin-4-ylpyridazin-3-one is sourced from PubChem (CID 66510155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).