6-[2-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-2-oxoethyl]-2-methylpyridazin-3-one

C19H22FN3O3 — CID 160860615

IUPAC6-[2-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-2-oxoethyl]-2-methylpyridazin-3-one
SMILESCn1nc(CC(=O)N2CCC(O)(Cc3cccc(F)c3)CC2)ccc1=O
InChIInChI=1S/C19H22FN3O3/c1-22-17(24)6-5-16(21-22)12-18(25)23-9-7-19(26,8-10-23)13-14-3-2-4-15(20)11-14/h2-6,11,26H,7-10,12-13H2,1H3
InChIKeySKKVDCFIBJJOAL-UHFFFAOYSA-N
MW359.40 g/mol
LogP1.06
Rot. Bonds4

About 6-[2-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-2-oxoethyl]-2-methylpyridazin-3-one

6-[2-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-2-oxoethyl]-2-methylpyridazin-3-one (PubChem CID 160860615) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is 6-[2-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-2-oxoethyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[2-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-2-oxoethyl]-2-methylpyridazin-3-one
PubChem CID160860615
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name6-[2-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-2-oxoethyl]-2-methylpyridazin-3-one
SMILESCn1nc(CC(=O)N2CCC(O)(Cc3cccc(F)c3)CC2)ccc1=O
InChIInChI=1S/C19H22FN3O3/c1-22-17(24)6-5-16(21-22)12-18(25)23-9-7-19(26,8-10-23)13-14-3-2-4-15(20)11-14/h2-6,11,26H,7-10,12-13H2,1H3
InChIKeySKKVDCFIBJJOAL-UHFFFAOYSA-N
XLogP1.06
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-1-methylpyrazin-2-one
CID 126791326
[2-(3-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]methanone
CID 86797102
2-(furan-3-yl)-1-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]ethanone
CID 136539065
(2,3-dimethylquinoxalin-6-yl)-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]methanone
CID 139007249
4-[[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023830
6-amino-2-methylpyridazin-3-one;4-bromo-1,2-difluorobenzene;tert-butyl 4-[(3,4-difluorophenyl)methyl]-4-fluoropiperidine-1-carboxylate;tert-butyl 4-[(3,4-difluorophenyl)methyl]-4-hydroxypiperidine-1-carboxylate;tert-butyl 1-oxa-6-azaspiro[2.5]octane-6-carboxylate;4-[(3,4-difluorophenyl)methyl]-4-fluoropiperidine;6-[2-[4-[(3,4-difluorophenyl)methyl]-4-fluoropiperidin-1-yl]-2-oxoethyl]-2-methylpyridazin-3-one
CID 161244723
(4-ethylmorpholin-3-yl)-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]methanone
CID 139007228
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110817138
[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone
CID 139007230
[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone
CID 139007233
[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(4-phenyl-1,3-thiazol-2-yl)methanone
CID 138993033
(4,4-difluoropiperidin-1-yl)-[4-[(3-fluorophenyl)methyl]-1-methylpiperidin-4-yl]methanone
CID 110090792

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-2-oxoethyl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[2-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-2-oxoethyl]-2-methylpyridazin-3-one (CID 160860615) is 6-[2-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-2-oxoethyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[2-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-2-oxoethyl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[2-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-2-oxoethyl]-2-methylpyridazin-3-one is Cn1nc(CC(=O)N2CCC(O)(Cc3cccc(F)c3)CC2)ccc1=O.
What is the InChIKey of 6-[2-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-2-oxoethyl]-2-methylpyridazin-3-one?
The InChIKey is SKKVDCFIBJJOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-22-17(24)6-5-16(21-22)12-18(25)23-9-7-19(26,8-10-23)13-14-3-2-4-15(20)11-14/h2-6,11,26H,7-10,12-13H2,1H3.
What are the key properties of 6-[2-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-2-oxoethyl]-2-methylpyridazin-3-one?
6-[2-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-2-oxoethyl]-2-methylpyridazin-3-one has a molecular weight of 359.40 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-2-oxoethyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 160860615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).