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

C23H28N4O2S — CID 90642757

IUPACN-(4-tert-butylphenyl)-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)N2CCCC(Cc3nc(-c4ccsc4)no3)C2)cc1
InChIInChI=1S/C23H28N4O2S/c1-23(2,3)18-6-8-19(9-7-18)24-22(28)27-11-4-5-16(14-27)13-20-25-21(26-29-20)17-10-12-30-15-17/h6-10,12,15-16H,4-5,11,13-14H2,1-3H3,(H,24,28)
InChIKeyOZSSXNGFAFRORQ-UHFFFAOYSA-N
MW424.57 g/mol
LogP5.58
Rot. Bonds4

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

N-(4-tert-butylphenyl)-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide (PubChem CID 90642757) has the molecular formula C23H28N4O2S and a molecular weight of 424.57 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
PubChem CID90642757
Molecular FormulaC23H28N4O2S
Molecular Weight424.57 g/mol
Exact Mass424.19
IUPAC NameN-(4-tert-butylphenyl)-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)N2CCCC(Cc3nc(-c4ccsc4)no3)C2)cc1
InChIInChI=1S/C23H28N4O2S/c1-23(2,3)18-6-8-19(9-7-18)24-22(28)27-11-4-5-16(14-27)13-20-25-21(26-29-20)17-10-12-30-15-17/h6-10,12,15-16H,4-5,11,13-14H2,1-3H3,(H,24,28)
InChIKeyOZSSXNGFAFRORQ-UHFFFAOYSA-N
XLogP5.58
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.57
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylphenyl)-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
CID 90642769
[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
5-[[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 90642820
2-propyl-1-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]pentan-1-one
CID 90642532
3-chloro-1-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]propan-1-one
CID 90642546
1-adamantyl-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 90642539
(5-methylpyrazin-2-yl)-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 90642723
oxan-4-yl 3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate
CID 90642733
(3S)-N-[(3,4-dimethoxyphenyl)methyl]-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
CID 99879009
(2-methoxyphenyl)-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 90642556
quinoxalin-2-yl-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 90642632

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide (CID 90642757) is N-(4-tert-butylphenyl)-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide is CC(C)(C)c1ccc(NC(=O)N2CCCC(Cc3nc(-c4ccsc4)no3)C2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide?
The InChIKey is OZSSXNGFAFRORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2S/c1-23(2,3)18-6-8-19(9-7-18)24-22(28)27-11-4-5-16(14-27)13-20-25-21(26-29-20)17-10-12-30-15-17/h6-10,12,15-16H,4-5,11,13-14H2,1-3H3,(H,24,28).
What are the key properties of N-(4-tert-butylphenyl)-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide?
N-(4-tert-butylphenyl)-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide has a molecular weight of 424.57 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 90642757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).