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

C25H24N4O2 — CID 4569000

IUPAC4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide
SMILESCc1ccc(-c2noc(C3CCN(C(=O)Nc4cccc5ccccc45)CC3)n2)cc1
InChIInChI=1S/C25H24N4O2/c1-17-9-11-19(12-10-17)23-27-24(31-28-23)20-13-15-29(16-14-20)25(30)26-22-8-4-6-18-5-2-3-7-21(18)22/h2-12,20H,13-16H2,1H3,(H,26,30)
InChIKeyPUBYRORVKAWDKE-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.61
Rot. Bonds3

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

4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide (PubChem CID 4569000) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide
PubChem CID4569000
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide
SMILESCc1ccc(-c2noc(C3CCN(C(=O)Nc4cccc5ccccc45)CC3)n2)cc1
InChIInChI=1S/C25H24N4O2/c1-17-9-11-19(12-10-17)23-27-24(31-28-23)20-13-15-29(16-14-20)25(30)26-22-8-4-6-18-5-2-3-7-21(18)22/h2-12,20H,13-16H2,1H3,(H,26,30)
InChIKeyPUBYRORVKAWDKE-UHFFFAOYSA-N
XLogP5.61
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 42760971
(2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 7295387
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,5-dimethylphenyl)piperidine-1-carboxamide
CID 50769457
N-(2-bromophenyl)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 42760920
1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 812457
4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 50780218
N-(3,5-dimethylphenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 50769376
N-(1-ethyl-1,2,4-triazol-3-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 46994061
N-(2-methoxy-5-methylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 24731278
1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylbutan-1-one
CID 42760385
N-(2,4-dichlorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 5207523
1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2,2-diphenylethanone
CID 42760384

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide (CID 4569000) is 4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide is Cc1ccc(-c2noc(C3CCN(C(=O)Nc4cccc5ccccc45)CC3)n2)cc1.
What is the InChIKey of 4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide?
The InChIKey is PUBYRORVKAWDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-17-9-11-19(12-10-17)23-27-24(31-28-23)20-13-15-29(16-14-20)25(30)26-22-8-4-6-18-5-2-3-7-21(18)22/h2-12,20H,13-16H2,1H3,(H,26,30).
What are the key properties of 4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide?
4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 5.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide is sourced from PubChem (CID 4569000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).