2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide

C25H30N4O3 — CID 53152362

IUPAC2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCOc1ccc(-c2noc(C3CCN(CC(=O)Nc4c(C)cc(C)cc4C)CC3)n2)cc1
InChIInChI=1S/C25H30N4O3/c1-16-13-17(2)23(18(3)14-16)26-22(30)15-29-11-9-20(10-12-29)25-27-24(28-32-25)19-5-7-21(31-4)8-6-19/h5-8,13-14,20H,9-12,15H2,1-4H3,(H,26,30)
InChIKeyRJCJQBDZCXHWIY-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.49
Rot. Bonds6

About 2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide

2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 53152362) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID53152362
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCOc1ccc(-c2noc(C3CCN(CC(=O)Nc4c(C)cc(C)cc4C)CC3)n2)cc1
InChIInChI=1S/C25H30N4O3/c1-16-13-17(2)23(18(3)14-16)26-22(30)15-29-11-9-20(10-12-29)25-27-24(28-32-25)19-5-7-21(31-4)8-6-19/h5-8,13-14,20H,9-12,15H2,1-4H3,(H,26,30)
InChIKeyRJCJQBDZCXHWIY-UHFFFAOYSA-N
XLogP4.49
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethylphenyl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
CID 53152283
N-(2,4-dimethylphenyl)-2-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
CID 53152305
[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 3590042
[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 91946497
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide
CID 42760461
2-[[4-ethyl-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 53127992
1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 42760440
N-(2-methylphenyl)-2-[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
CID 53152298
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde
CID 137439420
2-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 90543276
(2R)-N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 7219015
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(4-methylphenyl)acetamide
CID 60568381

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide (CID 53152362) is 2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide is COc1ccc(-c2noc(C3CCN(CC(=O)Nc4c(C)cc(C)cc4C)CC3)n2)cc1.
What is the InChIKey of 2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is RJCJQBDZCXHWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-16-13-17(2)23(18(3)14-16)26-22(30)15-29-11-9-20(10-12-29)25-27-24(28-32-25)19-5-7-21(31-4)8-6-19/h5-8,13-14,20H,9-12,15H2,1-4H3,(H,26,30).
What are the key properties of 2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 434.54 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 53152362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).