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

C24H27N3O6 — CID 650581

IUPAC(4-methoxyphenyl)-[3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCC(c3nc(-c4cc(OC)c(OC)c(OC)c4)no3)C2)cc1
InChIInChI=1S/C24H27N3O6/c1-29-18-9-7-15(8-10-18)24(28)27-11-5-6-16(14-27)23-25-22(26-33-23)17-12-19(30-2)21(32-4)20(13-17)31-3/h7-10,12-13,16H,5-6,11,14H2,1-4H3
InChIKeyJYBATFPJAXOONJ-UHFFFAOYSA-N
MW453.50 g/mol
LogP3.79
Rot. Bonds7

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

(4-methoxyphenyl)-[3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (PubChem CID 650581) has the molecular formula C24H27N3O6 and a molecular weight of 453.50 g/mol. Its IUPAC name is (4-methoxyphenyl)-[3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
PubChem CID650581
Molecular FormulaC24H27N3O6
Molecular Weight453.50 g/mol
Exact Mass453.19
IUPAC Name(4-methoxyphenyl)-[3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCC(c3nc(-c4cc(OC)c(OC)c(OC)c4)no3)C2)cc1
InChIInChI=1S/C24H27N3O6/c1-29-18-9-7-15(8-10-18)24(28)27-11-5-6-16(14-27)23-25-22(26-33-23)17-12-19(30-2)21(32-4)20(13-17)31-3/h7-10,12-13,16H,5-6,11,14H2,1-4H3
InChIKeyJYBATFPJAXOONJ-UHFFFAOYSA-N
XLogP3.79
TPSA96.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (CID 650581) is (4-methoxyphenyl)-[3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is COc1ccc(C(=O)N2CCCC(c3nc(-c4cc(OC)c(OC)c(OC)c4)no3)C2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is JYBATFPJAXOONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O6/c1-29-18-9-7-15(8-10-18)24(28)27-11-5-6-16(14-27)23-25-22(26-33-23)17-12-19(30-2)21(32-4)20(13-17)31-3/h7-10,12-13,16H,5-6,11,14H2,1-4H3.
What are the key properties of (4-methoxyphenyl)-[3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
(4-methoxyphenyl)-[3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 453.50 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 650581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).