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

C22H23FN4O3 — CID 50814406

IUPACN-(4-fluoro-2-hydroxyphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide
SMILESCc1ccc(-c2nc(CN3CCC(C(=O)Nc4ccc(F)cc4O)CC3)no2)cc1
InChIInChI=1S/C22H23FN4O3/c1-14-2-4-16(5-3-14)22-25-20(26-30-22)13-27-10-8-15(9-11-27)21(29)24-18-7-6-17(23)12-19(18)28/h2-7,12,15,28H,8-11,13H2,1H3,(H,24,29)
InChIKeyLNERRLOHFMBPFK-UHFFFAOYSA-N
MW410.45 g/mol
LogP3.74
Rot. Bonds5

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

N-(4-fluoro-2-hydroxyphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide (PubChem CID 50814406) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is N-(4-fluoro-2-hydroxyphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-hydroxyphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide
PubChem CID50814406
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC NameN-(4-fluoro-2-hydroxyphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide
SMILESCc1ccc(-c2nc(CN3CCC(C(=O)Nc4ccc(F)cc4O)CC3)no2)cc1
InChIInChI=1S/C22H23FN4O3/c1-14-2-4-16(5-3-14)22-25-20(26-30-22)13-27-10-8-15(9-11-27)21(29)24-18-7-6-17(23)12-19(18)28/h2-7,12,15,28H,8-11,13H2,1H3,(H,24,29)
InChIKeyLNERRLOHFMBPFK-UHFFFAOYSA-N
XLogP3.74
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(2-methylphenyl)piperidine-4-carboxamide
CID 46367686
(3R)-N-(2,4-difluorophenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 92733350
1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 50814431
1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 50814395
N-(2-cyanophenyl)-1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide
CID 46367709
N-(4-methoxyphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide
CID 50814495
N-(3-chloro-4-methoxyphenyl)-1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide
CID 46367722
N-(2,5-dichlorophenyl)-1-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide
CID 50755680
1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide
CID 50814511
N-(3,5-dimethylphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 50814421
N-(2-methoxy-5-methylphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 50814427
(3R)-N-(4-hydroxyphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 92733328

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-hydroxyphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-(4-fluoro-2-hydroxyphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide (CID 50814406) is N-(4-fluoro-2-hydroxyphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-hydroxyphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-fluoro-2-hydroxyphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide is Cc1ccc(-c2nc(CN3CCC(C(=O)Nc4ccc(F)cc4O)CC3)no2)cc1.
What is the InChIKey of N-(4-fluoro-2-hydroxyphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide?
The InChIKey is LNERRLOHFMBPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-14-2-4-16(5-3-14)22-25-20(26-30-22)13-27-10-8-15(9-11-27)21(29)24-18-7-6-17(23)12-19(18)28/h2-7,12,15,28H,8-11,13H2,1H3,(H,24,29).
What are the key properties of N-(4-fluoro-2-hydroxyphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide?
N-(4-fluoro-2-hydroxyphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide has a molecular weight of 410.45 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-hydroxyphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 50814406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).