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

C20H20ClN5O2 — CID 44629230

IUPACN-(2-chlorophenyl)-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESCc1cccnc1-c1noc(C2CCN(C(=O)Nc3ccccc3Cl)CC2)n1
InChIInChI=1S/C20H20ClN5O2/c1-13-5-4-10-22-17(13)18-24-19(28-25-18)14-8-11-26(12-9-14)20(27)23-16-7-3-2-6-15(16)21/h2-7,10,14H,8-9,11-12H2,1H3,(H,23,27)
InChIKeyCUYCSXJVAWBMMC-UHFFFAOYSA-N
MW397.87 g/mol
LogP4.50
Rot. Bonds3

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

N-(2-chlorophenyl)-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (PubChem CID 44629230) has the molecular formula C20H20ClN5O2 and a molecular weight of 397.87 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
PubChem CID44629230
Molecular FormulaC20H20ClN5O2
Molecular Weight397.87 g/mol
Exact Mass397.13
IUPAC NameN-(2-chlorophenyl)-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESCc1cccnc1-c1noc(C2CCN(C(=O)Nc3ccccc3Cl)CC2)n1
InChIInChI=1S/C20H20ClN5O2/c1-13-5-4-10-22-17(13)18-24-19(28-25-18)14-8-11-26(12-9-14)20(27)23-16-7-3-2-6-15(16)21/h2-7,10,14H,8-9,11-12H2,1H3,(H,23,27)
InChIKeyCUYCSXJVAWBMMC-UHFFFAOYSA-N
XLogP4.50
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.87
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dichlorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 5207523
N-(2-bromophenyl)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 42760920
4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 4569000
N-(2-ethylphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 42760971
N-phenyl-4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 167839568
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,5-dimethylphenyl)piperidine-1-carboxamide
CID 50769457
(3R)-N-(2-chlorophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 1454056
N-[4-(propanoylamino)phenyl]-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 56555158
4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide
CID 46296092
N-ethyl-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 44628365
3-(3-methyl-2-pyridinyl)-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 45204533
N-(1,3-benzodioxol-5-yl)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 50769336

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (CID 44629230) is N-(2-chlorophenyl)-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is Cc1cccnc1-c1noc(C2CCN(C(=O)Nc3ccccc3Cl)CC2)n1.
What is the InChIKey of N-(2-chlorophenyl)-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The InChIKey is CUYCSXJVAWBMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O2/c1-13-5-4-10-22-17(13)18-24-19(28-25-18)14-8-11-26(12-9-14)20(27)23-16-7-3-2-6-15(16)21/h2-7,10,14H,8-9,11-12H2,1H3,(H,23,27).
What are the key properties of N-(2-chlorophenyl)-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
N-(2-chlorophenyl)-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide has a molecular weight of 397.87 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 44629230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).