3-chloro-5-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carbonyl]-1H-pyridin-2-one

C20H18ClFN4O3 — CID 90641270

IUPAC3-chloro-5-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1c[nH]c(=O)c(Cl)c1)N1CCCC(Cc2nc(-c3ccccc3F)no2)C1
InChIInChI=1S/C20H18ClFN4O3/c21-15-9-13(10-23-19(15)27)20(28)26-7-3-4-12(11-26)8-17-24-18(25-29-17)14-5-1-2-6-16(14)22/h1-2,5-6,9-10,12H,3-4,7-8,11H2,(H,23,27)
InChIKeyWQQIFKXOJHPFFD-UHFFFAOYSA-N
MW416.84 g/mol
LogP3.31
Rot. Bonds4

About 3-chloro-5-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carbonyl]-1H-pyridin-2-one

3-chloro-5-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 90641270) has the molecular formula C20H18ClFN4O3 and a molecular weight of 416.84 g/mol. Its IUPAC name is 3-chloro-5-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID90641270
Molecular FormulaC20H18ClFN4O3
Molecular Weight416.84 g/mol
Exact Mass416.11
IUPAC Name3-chloro-5-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1c[nH]c(=O)c(Cl)c1)N1CCCC(Cc2nc(-c3ccccc3F)no2)C1
InChIInChI=1S/C20H18ClFN4O3/c21-15-9-13(10-23-19(15)27)20(28)26-7-3-4-12(11-26)8-17-24-18(25-29-17)14-5-1-2-6-16(14)22/h1-2,5-6,9-10,12H,3-4,7-8,11H2,(H,23,27)
InChIKeyWQQIFKXOJHPFFD-UHFFFAOYSA-N
XLogP3.31
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.84
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-5-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carbonyl]-1H-pyridin-2-one with MolForge

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Related Compounds

3-[(3R)-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 99992157
[(3R)-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 99992117
2-cyclopentyl-1-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone
CID 90641150
4-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carbonyl]benzonitrile
CID 90641233
N-cyclopentyl-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide
CID 90641345
(2,5-dimethylfuran-3-yl)-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
CID 90641217
[(3R)-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 99992213
2-(4-fluorophenoxy)-1-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone
CID 90641193
2-bicyclo[2.2.1]hept-5-enyl-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
CID 90641258
1,3-benzothiazol-2-yl-[(3S)-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
CID 99992275
3-[2-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 90641288
2,3-dihydro-1,4-benzodioxin-3-yl-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
CID 90641218

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-chloro-5-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carbonyl]-1H-pyridin-2-one (CID 90641270) is 3-chloro-5-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-5-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-5-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carbonyl]-1H-pyridin-2-one is O=C(c1c[nH]c(=O)c(Cl)c1)N1CCCC(Cc2nc(-c3ccccc3F)no2)C1.
What is the InChIKey of 3-chloro-5-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is WQQIFKXOJHPFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O3/c21-15-9-13(10-23-19(15)27)20(28)26-7-3-4-12(11-26)8-17-24-18(25-29-17)14-5-1-2-6-16(14)22/h1-2,5-6,9-10,12H,3-4,7-8,11H2,(H,23,27).
What are the key properties of 3-chloro-5-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carbonyl]-1H-pyridin-2-one?
3-chloro-5-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 416.84 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 90641270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).