3-[6-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole

C21H21F3N4O2 — CID 132778634

IUPAC3-[6-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESCOc1ccc(CN2CCCC(c3ccc(-c4noc(C(F)(F)F)n4)cn3)C2)cc1
InChIInChI=1S/C21H21F3N4O2/c1-29-17-7-4-14(5-8-17)12-28-10-2-3-16(13-28)18-9-6-15(11-25-18)19-26-20(30-27-19)21(22,23)24/h4-9,11,16H,2-3,10,12-13H2,1H3
InChIKeyGVMPUAYGMGQJAJ-UHFFFAOYSA-N
MW418.42 g/mol
LogP4.54
Rot. Bonds5

About 3-[6-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole

3-[6-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 132778634) has the molecular formula C21H21F3N4O2 and a molecular weight of 418.42 g/mol. Its IUPAC name is 3-[6-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[6-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID132778634
Molecular FormulaC21H21F3N4O2
Molecular Weight418.42 g/mol
Exact Mass418.16
IUPAC Name3-[6-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESCOc1ccc(CN2CCCC(c3ccc(-c4noc(C(F)(F)F)n4)cn3)C2)cc1
InChIInChI=1S/C21H21F3N4O2/c1-29-17-7-4-14(5-8-17)12-28-10-2-3-16(13-28)18-9-6-15(11-25-18)19-26-20(30-27-19)21(22,23)24/h4-9,11,16H,2-3,10,12-13H2,1H3
InChIKeyGVMPUAYGMGQJAJ-UHFFFAOYSA-N
XLogP4.54
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[6-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[6-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[6-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole (CID 132778634) is 3-[6-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[6-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[6-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is COc1ccc(CN2CCCC(c3ccc(-c4noc(C(F)(F)F)n4)cn3)C2)cc1.
What is the InChIKey of 3-[6-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is GVMPUAYGMGQJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O2/c1-29-17-7-4-14(5-8-17)12-28-10-2-3-16(13-28)18-9-6-15(11-25-18)19-26-20(30-27-19)21(22,23)24/h4-9,11,16H,2-3,10,12-13H2,1H3.
What are the key properties of 3-[6-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
3-[6-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 418.42 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 132778634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).