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

C21H21FN4O3 — CID 50814431

IUPAC1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(O)cc1)C1CCN(Cc2noc(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C21H21FN4O3/c22-16-3-1-15(2-4-16)21-24-19(25-29-21)13-26-11-9-14(10-12-26)20(28)23-17-5-7-18(27)8-6-17/h1-8,14,27H,9-13H2,(H,23,28)
InChIKeyZJWGZMBFXBLLIA-UHFFFAOYSA-N
MW396.42 g/mol
LogP3.43
Rot. Bonds5

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

1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide (PubChem CID 50814431) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is 1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide
PubChem CID50814431
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC Name1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(O)cc1)C1CCN(Cc2noc(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C21H21FN4O3/c22-16-3-1-15(2-4-16)21-24-19(25-29-21)13-26-11-9-14(10-12-26)20(28)23-17-5-7-18(27)8-6-17/h1-8,14,27H,9-13H2,(H,23,28)
InChIKeyZJWGZMBFXBLLIA-UHFFFAOYSA-N
XLogP3.43
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide
CID 46367722
1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 50814395
1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(2-methylphenyl)piperidine-4-carboxamide
CID 46367686
N-(4-methoxyphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide
CID 50814495
N-(4-fluoro-2-hydroxyphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide
CID 50814406
1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 120751655
(3R)-N-(4-hydroxyphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 92733328
N-(2-cyanophenyl)-1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide
CID 46367709
1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide
CID 50814511
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45019225
(3R)-N-(4-bromophenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 92733338
[1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methanol
CID 62370309

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide (CID 50814431) is 1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide is O=C(Nc1ccc(O)cc1)C1CCN(Cc2noc(-c3ccc(F)cc3)n2)CC1.
What is the InChIKey of 1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide?
The InChIKey is ZJWGZMBFXBLLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3/c22-16-3-1-15(2-4-16)21-24-19(25-29-21)13-26-11-9-14(10-12-26)20(28)23-17-5-7-18(27)8-6-17/h1-8,14,27H,9-13H2,(H,23,28).
What are the key properties of 1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide?
1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide has a molecular weight of 396.42 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 50814431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).