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

C22H20FN5O2 — CID 46367709

IUPACN-(2-cyanophenyl)-1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide
SMILESN#Cc1ccccc1NC(=O)C1CCN(Cc2noc(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C22H20FN5O2/c23-18-7-5-16(6-8-18)22-26-20(27-30-22)14-28-11-9-15(10-12-28)21(29)25-19-4-2-1-3-17(19)13-24/h1-8,15H,9-12,14H2,(H,25,29)
InChIKeyCTYGJJSMAHVULY-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.60
Rot. Bonds5

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

N-(2-cyanophenyl)-1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide (PubChem CID 46367709) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is N-(2-cyanophenyl)-1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide
PubChem CID46367709
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC NameN-(2-cyanophenyl)-1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide
SMILESN#Cc1ccccc1NC(=O)C1CCN(Cc2noc(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C22H20FN5O2/c23-18-7-5-16(6-8-18)22-26-20(27-30-22)14-28-11-9-15(10-12-28)21(29)25-19-4-2-1-3-17(19)13-24/h1-8,15H,9-12,14H2,(H,25,29)
InChIKeyCTYGJJSMAHVULY-UHFFFAOYSA-N
XLogP3.60
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 50814431
N-(4-fluoro-2-hydroxyphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide
CID 50814406
1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 50814395
N-(3-chloro-4-methoxyphenyl)-1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide
CID 46367722
1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide
CID 50814511
N-(4-methoxyphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide
CID 50814495
(3R)-N-(2,4-difluorophenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 92733350
1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 120751655
(3S)-N-(2-ethylphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 92733375
1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 63032406
N-(2,4-difluorophenyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38151883

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide (CID 46367709) is N-(2-cyanophenyl)-1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide is N#Cc1ccccc1NC(=O)C1CCN(Cc2noc(-c3ccc(F)cc3)n2)CC1.
What is the InChIKey of N-(2-cyanophenyl)-1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide?
The InChIKey is CTYGJJSMAHVULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c23-18-7-5-16(6-8-18)22-26-20(27-30-22)14-28-11-9-15(10-12-28)21(29)25-19-4-2-1-3-17(19)13-24/h1-8,15H,9-12,14H2,(H,25,29).
What are the key properties of N-(2-cyanophenyl)-1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide?
N-(2-cyanophenyl)-1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide has a molecular weight of 405.43 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 46367709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).