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

C20H22N4O2S — CID 90642769

IUPACN-(2-methylphenyl)-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCCC(Cc2nc(-c3ccsc3)no2)C1
InChIInChI=1S/C20H22N4O2S/c1-14-5-2-3-7-17(14)21-20(25)24-9-4-6-15(12-24)11-18-22-19(23-26-18)16-8-10-27-13-16/h2-3,5,7-8,10,13,15H,4,6,9,11-12H2,1H3,(H,21,25)
InChIKeyCZALXTUODBLSFA-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.59
Rot. Bonds4

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

N-(2-methylphenyl)-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide (PubChem CID 90642769) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-(2-methylphenyl)-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
PubChem CID90642769
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN-(2-methylphenyl)-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCCC(Cc2nc(-c3ccsc3)no2)C1
InChIInChI=1S/C20H22N4O2S/c1-14-5-2-3-7-17(14)21-20(25)24-9-4-6-15(12-24)11-18-22-19(23-26-18)16-8-10-27-13-16/h2-3,5,7-8,10,13,15H,4,6,9,11-12H2,1H3,(H,21,25)
InChIKeyCZALXTUODBLSFA-UHFFFAOYSA-N
XLogP4.59
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butylphenyl)-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
CID 90642757
(3S)-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylphenyl)piperidine-1-carboxamide
CID 99992448
2-propyl-1-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]pentan-1-one
CID 90642532
(2-methoxyphenyl)-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 90642556
3-chloro-1-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]propan-1-one
CID 90642546
(5-methylpyrazin-2-yl)-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 90642723
[2-methyl-1-oxo-1-[(3R)-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]propan-2-yl] acetate
CID 99878997
3-cyclohexyl-1-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]propan-1-one
CID 90642538
quinoxalin-2-yl-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 90642632
1-adamantyl-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 90642539
2-pyrazol-1-yl-1-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 90642645
2-(4-methoxy-3-methylphenyl)-1-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 90642729

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-(2-methylphenyl)-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide (CID 90642769) is N-(2-methylphenyl)-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide is Cc1ccccc1NC(=O)N1CCCC(Cc2nc(-c3ccsc3)no2)C1.
What is the InChIKey of N-(2-methylphenyl)-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide?
The InChIKey is CZALXTUODBLSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-14-5-2-3-7-17(14)21-20(25)24-9-4-6-15(12-24)11-18-22-19(23-26-18)16-8-10-27-13-16/h2-3,5,7-8,10,13,15H,4,6,9,11-12H2,1H3,(H,21,25).
What are the key properties of N-(2-methylphenyl)-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide?
N-(2-methylphenyl)-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 90642769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).