2-(4-methoxyphenyl)-5-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole

C24H30N6O2 — CID 83274017

IUPAC2-(4-methoxyphenyl)-5-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3cccnc3N3CCN(C4CCN(C)CC4)CC3)o2)cc1
InChIInChI=1S/C24H30N6O2/c1-28-12-9-19(10-13-28)29-14-16-30(17-15-29)22-21(4-3-11-25-22)24-27-26-23(32-24)18-5-7-20(31-2)8-6-18/h3-8,11,19H,9-10,12-17H2,1-2H3
InChIKeyUTWOLCNOXHPXJL-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.02
Rot. Bonds5

About 2-(4-methoxyphenyl)-5-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole

2-(4-methoxyphenyl)-5-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 83274017) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID83274017
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name2-(4-methoxyphenyl)-5-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3cccnc3N3CCN(C4CCN(C)CC4)CC3)o2)cc1
InChIInChI=1S/C24H30N6O2/c1-28-12-9-19(10-13-28)29-14-16-30(17-15-29)22-21(4-3-11-25-22)24-27-26-23(32-24)18-5-7-20(31-2)8-6-18/h3-8,11,19H,9-10,12-17H2,1-2H3
InChIKeyUTWOLCNOXHPXJL-UHFFFAOYSA-N
XLogP3.02
TPSA70.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methoxyphenyl)-5-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole (CID 83274017) is 2-(4-methoxyphenyl)-5-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methoxyphenyl)-5-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole is COc1ccc(-c2nnc(-c3cccnc3N3CCN(C4CCN(C)CC4)CC3)o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is UTWOLCNOXHPXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-28-12-9-19(10-13-28)29-14-16-30(17-15-29)22-21(4-3-11-25-22)24-27-26-23(32-24)18-5-7-20(31-2)8-6-18/h3-8,11,19H,9-10,12-17H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-5-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole?
2-(4-methoxyphenyl)-5-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 434.54 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 83274017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).