1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone

C23H25N3O3 — CID 53121854

IUPAC1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCOc1cccc(-c2nc(C3CCN(C(=O)Cc4ccc(C)cc4)CC3)no2)c1
InChIInChI=1S/C23H25N3O3/c1-16-6-8-17(9-7-16)14-21(27)26-12-10-18(11-13-26)22-24-23(29-25-22)19-4-3-5-20(15-19)28-2/h3-9,15,18H,10-14H2,1-2H3
InChIKeyVYWQYVINKAKKFM-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.00
Rot. Bonds5

About 1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone

1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone (PubChem CID 53121854) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone
PubChem CID53121854
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCOc1cccc(-c2nc(C3CCN(C(=O)Cc4ccc(C)cc4)CC3)no2)c1
InChIInChI=1S/C23H25N3O3/c1-16-6-8-17(9-7-16)14-21(27)26-12-10-18(11-13-26)22-24-23(29-25-22)19-4-3-5-20(15-19)28-2/h3-9,15,18H,10-14H2,1-2H3
InChIKeyVYWQYVINKAKKFM-UHFFFAOYSA-N
XLogP4.00
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxyphenyl)-1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone
CID 53121815
(2,4-dimethylphenyl)-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 53121824
5-[3-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
CID 136816004
2-(3-chloro-4-methoxyphenyl)-1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 53121768
2-(3,5-dimethoxyphenyl)-1-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone
CID 53121795
(2,5-difluorophenyl)-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 53121835
(E)-3-(4-methylphenyl)-1-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]prop-2-en-1-one
CID 46389295
5-(3-methoxyphenyl)-3-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]-1,2,4-oxadiazole
CID 53130809
3-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-5-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 53130823
2-(3-chloro-4-methoxyphenyl)-1-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone
CID 53121898
methyl 2-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]sulfonylbenzoate
CID 53130831
1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 91888761

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone (CID 53121854) is 1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone is COc1cccc(-c2nc(C3CCN(C(=O)Cc4ccc(C)cc4)CC3)no2)c1.
What is the InChIKey of 1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone?
The InChIKey is VYWQYVINKAKKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-6-8-17(9-7-16)14-21(27)26-12-10-18(11-13-26)22-24-23(29-25-22)19-4-3-5-20(15-19)28-2/h3-9,15,18H,10-14H2,1-2H3.
What are the key properties of 1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone?
1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone has a molecular weight of 391.47 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 53121854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).