2-(4-fluorophenyl)-6-[2-(2-hydroxyethyl)piperidine-1-carbonyl]pyridazin-3-one

C18H20FN3O3 — CID 110888367

IUPAC2-(4-fluorophenyl)-6-[2-(2-hydroxyethyl)piperidine-1-carbonyl]pyridazin-3-one
SMILESO=C(c1ccc(=O)n(-c2ccc(F)cc2)n1)N1CCCCC1CCO
InChIInChI=1S/C18H20FN3O3/c19-13-4-6-15(7-5-13)22-17(24)9-8-16(20-22)18(25)21-11-2-1-3-14(21)10-12-23/h4-9,14,23H,1-3,10-12H2
InChIKeyRPOJIJQEVCKMJF-UHFFFAOYSA-N
MW345.37 g/mol
LogP1.75
Rot. Bonds4

About 2-(4-fluorophenyl)-6-[2-(2-hydroxyethyl)piperidine-1-carbonyl]pyridazin-3-one

2-(4-fluorophenyl)-6-[2-(2-hydroxyethyl)piperidine-1-carbonyl]pyridazin-3-one (PubChem CID 110888367) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-[2-(2-hydroxyethyl)piperidine-1-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-[2-(2-hydroxyethyl)piperidine-1-carbonyl]pyridazin-3-one
PubChem CID110888367
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name2-(4-fluorophenyl)-6-[2-(2-hydroxyethyl)piperidine-1-carbonyl]pyridazin-3-one
SMILESO=C(c1ccc(=O)n(-c2ccc(F)cc2)n1)N1CCCCC1CCO
InChIInChI=1S/C18H20FN3O3/c19-13-4-6-15(7-5-13)22-17(24)9-8-16(20-22)18(25)21-11-2-1-3-14(21)10-12-23/h4-9,14,23H,1-3,10-12H2
InChIKeyRPOJIJQEVCKMJF-UHFFFAOYSA-N
XLogP1.75
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidine-1-carbonyl]-2-phenylpyridazin-3-one
CID 146122143
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)-2-(4-fluorophenyl)pyridazin-3-one
CID 56819222
6-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-(4-fluorophenyl)pyridazin-3-one
CID 128988420
[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99698662
(6-fluoro-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 113323326
3-amino-N-[[1-(6-oxo-1-phenylpyridazine-3-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120579697
N-cyclooctyl-1-(4-fluorophenyl)-N-methyl-6-oxopyridazine-3-carboxamide
CID 47089546
6-[2-(2-hydroxyethyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 43427369
(5-bromo-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62958660
3-[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 62217813
2-(4-fluorophenyl)-6-[(3S)-3-(methylamino)piperidine-1-carbonyl]pyridazin-3-one
CID 124574819
[2-(2-chloroethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 113436394

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-[2-(2-hydroxyethyl)piperidine-1-carbonyl]pyridazin-3-one?
The IUPAC name of 2-(4-fluorophenyl)-6-[2-(2-hydroxyethyl)piperidine-1-carbonyl]pyridazin-3-one (CID 110888367) is 2-(4-fluorophenyl)-6-[2-(2-hydroxyethyl)piperidine-1-carbonyl]pyridazin-3-one.
What is the SMILES notation for 2-(4-fluorophenyl)-6-[2-(2-hydroxyethyl)piperidine-1-carbonyl]pyridazin-3-one?
The canonical SMILES for 2-(4-fluorophenyl)-6-[2-(2-hydroxyethyl)piperidine-1-carbonyl]pyridazin-3-one is O=C(c1ccc(=O)n(-c2ccc(F)cc2)n1)N1CCCCC1CCO.
What is the InChIKey of 2-(4-fluorophenyl)-6-[2-(2-hydroxyethyl)piperidine-1-carbonyl]pyridazin-3-one?
The InChIKey is RPOJIJQEVCKMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c19-13-4-6-15(7-5-13)22-17(24)9-8-16(20-22)18(25)21-11-2-1-3-14(21)10-12-23/h4-9,14,23H,1-3,10-12H2.
What are the key properties of 2-(4-fluorophenyl)-6-[2-(2-hydroxyethyl)piperidine-1-carbonyl]pyridazin-3-one?
2-(4-fluorophenyl)-6-[2-(2-hydroxyethyl)piperidine-1-carbonyl]pyridazin-3-one has a molecular weight of 345.37 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-[2-(2-hydroxyethyl)piperidine-1-carbonyl]pyridazin-3-one is sourced from PubChem (CID 110888367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).