1-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-pyridin-2-ylpiperidine-4-carboxamide

C22H24FN5O2 — CID 55816708

IUPAC1-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-pyridin-2-ylpiperidine-4-carboxamide
SMILESCc1ccc(-c2noc(C(C)N3CCC(C(=O)Nc4ccccn4)CC3)n2)cc1F
InChIInChI=1S/C22H24FN5O2/c1-14-6-7-17(13-18(14)23)20-26-22(30-27-20)15(2)28-11-8-16(9-12-28)21(29)25-19-5-3-4-10-24-19/h3-7,10,13,15-16H,8-9,11-12H2,1-2H3,(H,24,25,29)
InChIKeyITPAQZUKPSVOCG-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.99
Rot. Bonds5

About 1-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-pyridin-2-ylpiperidine-4-carboxamide

1-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-pyridin-2-ylpiperidine-4-carboxamide (PubChem CID 55816708) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is 1-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-pyridin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-pyridin-2-ylpiperidine-4-carboxamide
PubChem CID55816708
Molecular FormulaC22H24FN5O2
Molecular Weight409.47 g/mol
Exact Mass409.19
IUPAC Name1-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-pyridin-2-ylpiperidine-4-carboxamide
SMILESCc1ccc(-c2noc(C(C)N3CCC(C(=O)Nc4ccccn4)CC3)n2)cc1F
InChIInChI=1S/C22H24FN5O2/c1-14-6-7-17(13-18(14)23)20-26-22(30-27-20)15(2)28-11-8-16(9-12-28)21(29)25-19-5-3-4-10-24-19/h3-7,10,13,15-16H,8-9,11-12H2,1-2H3,(H,24,25,29)
InChIKeyITPAQZUKPSVOCG-UHFFFAOYSA-N
XLogP3.99
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-fluoro-4-methylphenyl)-5-[(1S)-1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethyl]-1,2,4-oxadiazole
CID 99821665
N-cyclopropyl-1-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide
CID 94651886
2-[4-[(1S)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 30721405
(3R)-1-[(1R)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidin-3-ol
CID 98762941
1-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907313
(4-methylphenyl)-[1-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanone
CID 87034801
1-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122006706
(3S,4R)-1-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120761882
3-(3-fluoro-4-methylphenyl)-5-[(1S)-1-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 99823662
(8aS)-7-[(1R)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 98773637
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55994634
tert-butyl N-[1-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidin-4-yl]carbamate
CID 78899802

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-pyridin-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-pyridin-2-ylpiperidine-4-carboxamide (CID 55816708) is 1-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-pyridin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-pyridin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-pyridin-2-ylpiperidine-4-carboxamide is Cc1ccc(-c2noc(C(C)N3CCC(C(=O)Nc4ccccn4)CC3)n2)cc1F.
What is the InChIKey of 1-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-pyridin-2-ylpiperidine-4-carboxamide?
The InChIKey is ITPAQZUKPSVOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2/c1-14-6-7-17(13-18(14)23)20-26-22(30-27-20)15(2)28-11-8-16(9-12-28)21(29)25-19-5-3-4-10-24-19/h3-7,10,13,15-16H,8-9,11-12H2,1-2H3,(H,24,25,29).
What are the key properties of 1-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-pyridin-2-ylpiperidine-4-carboxamide?
1-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-pyridin-2-ylpiperidine-4-carboxamide has a molecular weight of 409.47 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-pyridin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 55816708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).