5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole

C23H28N4O5 — CID 45203283

IUPAC5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(CN3CCCC(OCc4ccccn4)C3)n2)c(OC)c1OC
InChIInChI=1S/C23H28N4O5/c1-28-19-10-9-18(21(29-2)22(19)30-3)23-25-20(32-26-23)14-27-12-6-8-17(13-27)31-15-16-7-4-5-11-24-16/h4-5,7,9-11,17H,6,8,12-15H2,1-3H3
InChIKeyBBYQQFHILQTYGL-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.34
Rot. Bonds9

About 5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole

5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole (PubChem CID 45203283) has the molecular formula C23H28N4O5 and a molecular weight of 440.50 g/mol. Its IUPAC name is 5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole
PubChem CID45203283
Molecular FormulaC23H28N4O5
Molecular Weight440.50 g/mol
Exact Mass440.21
IUPAC Name5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(CN3CCCC(OCc4ccccn4)C3)n2)c(OC)c1OC
InChIInChI=1S/C23H28N4O5/c1-28-19-10-9-18(21(29-2)22(19)30-3)23-25-20(32-26-23)14-27-12-6-8-17(13-27)31-15-16-7-4-5-11-24-16/h4-5,7,9-11,17H,6,8,12-15H2,1-3H3
InChIKeyBBYQQFHILQTYGL-UHFFFAOYSA-N
XLogP3.34
TPSA91.97 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole (CID 45203283) is 5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole is COc1ccc(-c2noc(CN3CCCC(OCc4ccccn4)C3)n2)c(OC)c1OC.
What is the InChIKey of 5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is BBYQQFHILQTYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5/c1-28-19-10-9-18(21(29-2)22(19)30-3)23-25-20(32-26-23)14-27-12-6-8-17(13-27)31-15-16-7-4-5-11-24-16/h4-5,7,9-11,17H,6,8,12-15H2,1-3H3.
What are the key properties of 5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole?
5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 440.50 g/mol, XLogP of 3.34, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 45203283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).