4-[3-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpiperidin-2-one

C16H18FN3O3 — CID 138021507

IUPAC4-[3-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpiperidin-2-one
SMILESCOc1ccc(Cc2noc(C3(C)CCNC(=O)C3)n2)cc1F
InChIInChI=1S/C16H18FN3O3/c1-16(5-6-18-14(21)9-16)15-19-13(20-23-15)8-10-3-4-12(22-2)11(17)7-10/h3-4,7H,5-6,8-9H2,1-2H3,(H,18,21)
InChIKeyUUXGYIFBPHECOF-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.98
Rot. Bonds4

About 4-[3-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpiperidin-2-one

4-[3-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpiperidin-2-one (PubChem CID 138021507) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is 4-[3-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpiperidin-2-one.

Molecular Properties

Compound Name4-[3-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpiperidin-2-one
PubChem CID138021507
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name4-[3-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpiperidin-2-one
SMILESCOc1ccc(Cc2noc(C3(C)CCNC(=O)C3)n2)cc1F
InChIInChI=1S/C16H18FN3O3/c1-16(5-6-18-14(21)9-16)15-19-13(20-23-15)8-10-3-4-12(22-2)11(17)7-10/h3-4,7H,5-6,8-9H2,1-2H3,(H,18,21)
InChIKeyUUXGYIFBPHECOF-UHFFFAOYSA-N
XLogP1.98
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpiperidin-2-one with MolForge

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Related Compounds

(4S)-4-[3-[difluoro-(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpiperidin-2-one
CID 164643440
3-benzyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63123739
4-[[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]azepan-2-one
CID 167803128
5-[4-(methoxymethyl)piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole;hydrochloride
CID 120838673
3-[(6-methoxy-3-pyridinyl)methyl]-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 104597636
2-(3-fluoro-4-methoxyphenyl)acetaldehyde
CID 62796139
3-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1,2,4-oxadiazol-5-amine
CID 55096339
ethyl 1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79480061
1-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1,4-diazepan-2-one
CID 82304426
1-[[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-ol
CID 75477955
2-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(2-methyloxan-2-yl)ethanamine
CID 80685372
(1R)-1-[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 103822484

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpiperidin-2-one?
The IUPAC name of 4-[3-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpiperidin-2-one (CID 138021507) is 4-[3-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpiperidin-2-one.
What is the SMILES notation for 4-[3-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpiperidin-2-one?
The canonical SMILES for 4-[3-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpiperidin-2-one is COc1ccc(Cc2noc(C3(C)CCNC(=O)C3)n2)cc1F.
What is the InChIKey of 4-[3-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpiperidin-2-one?
The InChIKey is UUXGYIFBPHECOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-16(5-6-18-14(21)9-16)15-19-13(20-23-15)8-10-3-4-12(22-2)11(17)7-10/h3-4,7H,5-6,8-9H2,1-2H3,(H,18,21).
What are the key properties of 4-[3-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpiperidin-2-one?
4-[3-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpiperidin-2-one has a molecular weight of 319.34 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpiperidin-2-one is sourced from PubChem (CID 138021507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).