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

C23H24ClN3O4 — CID 53121898

IUPAC2-(3-chloro-4-methoxyphenyl)-1-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCC(c3noc(-c4ccccc4OC)n3)CC2)cc1Cl
InChIInChI=1S/C23H24ClN3O4/c1-29-19-6-4-3-5-17(19)23-25-22(26-31-23)16-9-11-27(12-10-16)21(28)14-15-7-8-20(30-2)18(24)13-15/h3-8,13,16H,9-12,14H2,1-2H3
InChIKeyBQBRHZGZWAXEQX-UHFFFAOYSA-N
MW441.92 g/mol
LogP4.36
Rot. Bonds6

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

2-(3-chloro-4-methoxyphenyl)-1-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone (PubChem CID 53121898) has the molecular formula C23H24ClN3O4 and a molecular weight of 441.92 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-1-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-1-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone
PubChem CID53121898
Molecular FormulaC23H24ClN3O4
Molecular Weight441.92 g/mol
Exact Mass441.15
IUPAC Name2-(3-chloro-4-methoxyphenyl)-1-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCC(c3noc(-c4ccccc4OC)n3)CC2)cc1Cl
InChIInChI=1S/C23H24ClN3O4/c1-29-19-6-4-3-5-17(19)23-25-22(26-31-23)16-9-11-27(12-10-16)21(28)14-15-7-8-20(30-2)18(24)13-15/h3-8,13,16H,9-12,14H2,1-2H3
InChIKeyBQBRHZGZWAXEQX-UHFFFAOYSA-N
XLogP4.36
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
(E)-3-(4-methoxyphenyl)-1-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]prop-2-en-1-one
CID 53121877
2-(3-methoxyphenyl)-1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone
CID 53121815
3-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]benzonitrile
CID 53121895
1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 53121854
(2-chloro-5-fluorophenyl)-[(3S)-3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 95094792
3-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl]-4-phenyl-1H-1,2,4-triazol-5-one
CID 91890655
1-(azepan-1-yl)-2-(3-chloro-4-methoxyphenyl)ethanone
CID 110767076
(3,4-dimethoxyphenyl)-[(3R)-3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 95094815
2-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
CID 53168352
2-(3-chloro-4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 110767033

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-1-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-1-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone (CID 53121898) is 2-(3-chloro-4-methoxyphenyl)-1-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-1-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-1-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone is COc1ccc(CC(=O)N2CCC(c3noc(-c4ccccc4OC)n3)CC2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-1-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone?
The InChIKey is BQBRHZGZWAXEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O4/c1-29-19-6-4-3-5-17(19)23-25-22(26-31-23)16-9-11-27(12-10-16)21(28)14-15-7-8-20(30-2)18(24)13-15/h3-8,13,16H,9-12,14H2,1-2H3.
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-1-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone?
2-(3-chloro-4-methoxyphenyl)-1-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone has a molecular weight of 441.92 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-1-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 53121898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).