3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide

C22H23FN4O3 — CID 90641316

IUPAC3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCCC(Cc3nc(-c4ccccc4F)no3)C2)c1
InChIInChI=1S/C22H23FN4O3/c1-29-17-8-4-7-16(13-17)24-22(28)27-11-5-6-15(14-27)12-20-25-21(26-30-20)18-9-2-3-10-19(18)23/h2-4,7-10,13,15H,5-6,11-12,14H2,1H3,(H,24,28)
InChIKeyLGHOVZLYDFUCTD-UHFFFAOYSA-N
MW410.45 g/mol
LogP4.37
Rot. Bonds5

About 3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide

3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide (PubChem CID 90641316) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is 3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide
PubChem CID90641316
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC Name3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCCC(Cc3nc(-c4ccccc4F)no3)C2)c1
InChIInChI=1S/C22H23FN4O3/c1-29-17-8-4-7-16(13-17)24-22(28)27-11-5-6-15(14-27)12-20-25-21(26-30-20)18-9-2-3-10-19(18)23/h2-4,7-10,13,15H,5-6,11-12,14H2,1H3,(H,24,28)
InChIKeyLGHOVZLYDFUCTD-UHFFFAOYSA-N
XLogP4.37
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethoxyphenyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide
CID 90642051
3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 90641335
1-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 90641186
(3S)-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 99992437
(3S)-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylphenyl)piperidine-1-carboxamide
CID 99992448
N-cyclopentyl-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide
CID 90641345
2-(4-fluorophenoxy)-1-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone
CID 90641193
2-cyclopentyl-1-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone
CID 90641150
N-(3,5-dimethoxyphenyl)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
CID 90642396
[(3R)-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 99992117
(2,5-dimethylfuran-3-yl)-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
CID 90641217
4-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carbonyl]benzonitrile
CID 90641233

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide (CID 90641316) is 3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide is COc1cccc(NC(=O)N2CCCC(Cc3nc(-c4ccccc4F)no3)C2)c1.
What is the InChIKey of 3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide?
The InChIKey is LGHOVZLYDFUCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-29-17-8-4-7-16(13-17)24-22(28)27-11-5-6-15(14-27)12-20-25-21(26-30-20)18-9-2-3-10-19(18)23/h2-4,7-10,13,15H,5-6,11-12,14H2,1H3,(H,24,28).
What are the key properties of 3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide?
3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide has a molecular weight of 410.45 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 90641316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).