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

C22H23N3O3 — CID 649916

IUPAC1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylethanone
SMILESCOc1cccc(-c2noc(C3CCCN(C(=O)Cc4ccccc4)C3)n2)c1
InChIInChI=1S/C22H23N3O3/c1-27-19-11-5-9-17(14-19)21-23-22(28-24-21)18-10-6-12-25(15-18)20(26)13-16-7-3-2-4-8-16/h2-5,7-9,11,14,18H,6,10,12-13,15H2,1H3
InChIKeyVISVMHVWYMMTJM-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.69
Rot. Bonds5

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

1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylethanone (PubChem CID 649916) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylethanone
PubChem CID649916
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylethanone
SMILESCOc1cccc(-c2noc(C3CCCN(C(=O)Cc4ccccc4)C3)n2)c1
InChIInChI=1S/C22H23N3O3/c1-27-19-11-5-9-17(14-19)21-23-22(28-24-21)18-10-6-12-25(15-18)20(26)13-16-7-3-2-4-8-16/h2-5,7-9,11,14,18H,6,10,12-13,15H2,1H3
InChIKeyVISVMHVWYMMTJM-UHFFFAOYSA-N
XLogP3.69
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(3-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-morpholin-4-ylbutan-1-one
CID 1832159
4-[3-(2-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(morpholin-4-yl)butan-1-one
CID 1836481
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)propanamide
CID 1839545
3-[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidin-1-ylpropan-1-one
CID 2020010
1-[3-[3-(3-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]-1-butanone
CID 3226016
Cyclobutyl-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 4235504
5-(1-Azabicyclo[2.2.2]octan-3-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 14810886
5-(1-Azabicyclo[2.2.2]octan-3-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 14810888
{3-[3-(3,4-Dimethoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-(2-methoxy-phenyl)-methanone
CID 649283
(4-Methoxy-phenyl)-{3-[3-(3,4,5-trimethoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-methanone
CID 650581
(2-Methoxy-phenyl)-{3-[3-(3,4,5-trimethoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-methanone
CID 651590
4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)butanamide
CID 666498

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylethanone (CID 649916) is 1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylethanone is COc1cccc(-c2noc(C3CCCN(C(=O)Cc4ccccc4)C3)n2)c1.
What is the InChIKey of 1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylethanone?
The InChIKey is VISVMHVWYMMTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-27-19-11-5-9-17(14-19)21-23-22(28-24-21)18-10-6-12-25(15-18)20(26)13-16-7-3-2-4-8-16/h2-5,7-9,11,14,18H,6,10,12-13,15H2,1H3.
What are the key properties of 1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylethanone?
1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylethanone has a molecular weight of 377.44 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 649916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).