6-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]-2-methylpyridazin-3-one

C17H19N3O3 — CID 51327441

IUPAC6-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2CCC(c3ccc(O)cc3)CC2)ccc1=O
InChIInChI=1S/C17H19N3O3/c1-19-16(22)7-6-15(18-19)17(23)20-10-8-13(9-11-20)12-2-4-14(21)5-3-12/h2-7,13,21H,8-11H2,1H3
InChIKeyACKKQWVEEUQHCV-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.51
Rot. Bonds2

About 6-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]-2-methylpyridazin-3-one

6-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]-2-methylpyridazin-3-one (PubChem CID 51327441) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 6-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]-2-methylpyridazin-3-one
PubChem CID51327441
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name6-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2CCC(c3ccc(O)cc3)CC2)ccc1=O
InChIInChI=1S/C17H19N3O3/c1-19-16(22)7-6-15(18-19)17(23)20-10-8-13(9-11-20)12-2-4-14(21)5-3-12/h2-7,13,21H,8-11H2,1H3
InChIKeyACKKQWVEEUQHCV-UHFFFAOYSA-N
XLogP1.51
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-butyl-6-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]pyridazin-3-one
CID 51327458
6-(4-hydroxypiperidine-1-carbonyl)-2-methylpyridazin-3-one
CID 43391811
2-methyl-6-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyridazin-3-one
CID 90539797
6-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 70743743
6-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylpyridazin-3-one
CID 80707142
6-(4,4-difluoropiperidine-1-carbonyl)-2-methylpyridazin-3-one
CID 121184558
2-methyl-6-(4-propan-2-ylpiperazine-1-carbonyl)pyridazin-3-one
CID 47162984
6-[(3R)-3-cyclopropyl-3-hydroxy-4,4-dimethylpyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
CID 72850345
6-(4-benzylsulfonylpiperidine-1-carbonyl)-2-methylpyridazin-3-one
CID 121022762
(1-butan-2-yl-5-methylpyrazol-3-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone
CID 146131215
(3-tert-butyl-1-methylpyrazol-4-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone
CID 146086308
6-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 95799244

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]-2-methylpyridazin-3-one (CID 51327441) is 6-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]-2-methylpyridazin-3-one is Cn1nc(C(=O)N2CCC(c3ccc(O)cc3)CC2)ccc1=O.
What is the InChIKey of 6-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]-2-methylpyridazin-3-one?
The InChIKey is ACKKQWVEEUQHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-19-16(22)7-6-15(18-19)17(23)20-10-8-13(9-11-20)12-2-4-14(21)5-3-12/h2-7,13,21H,8-11H2,1H3.
What are the key properties of 6-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]-2-methylpyridazin-3-one?
6-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]-2-methylpyridazin-3-one has a molecular weight of 313.36 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 51327441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).