5-[1-[(1S)-1-(3-methoxyphenyl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole

C21H24N4O2 — CID 164640601

IUPAC5-[1-[(1S)-1-(3-methoxyphenyl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCOc1cccc([C@H](C)N2CCC(c3nc(-c4ccccn4)no3)CC2)c1
InChIInChI=1S/C21H24N4O2/c1-15(17-6-5-7-18(14-17)26-2)25-12-9-16(10-13-25)21-23-20(24-27-21)19-8-3-4-11-22-19/h3-8,11,14-16H,9-10,12-13H2,1-2H3/t15-/m0/s1
InChIKeyBYMLOKFFUFOEPZ-HNNXBMFYSA-N
MW364.45 g/mol
LogP4.08
Rot. Bonds5

About 5-[1-[(1S)-1-(3-methoxyphenyl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole

5-[1-[(1S)-1-(3-methoxyphenyl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 164640601) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-[1-[(1S)-1-(3-methoxyphenyl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[(1S)-1-(3-methoxyphenyl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID164640601
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name5-[1-[(1S)-1-(3-methoxyphenyl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCOc1cccc([C@H](C)N2CCC(c3nc(-c4ccccn4)no3)CC2)c1
InChIInChI=1S/C21H24N4O2/c1-15(17-6-5-7-18(14-17)26-2)25-12-9-16(10-13-25)21-23-20(24-27-21)19-8-3-4-11-22-19/h3-8,11,14-16H,9-10,12-13H2,1-2H3/t15-/m0/s1
InChIKeyBYMLOKFFUFOEPZ-HNNXBMFYSA-N
XLogP4.08
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(1S)-1-(3-methoxyphenyl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[(1S)-1-(3-methoxyphenyl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole (CID 164640601) is 5-[1-[(1S)-1-(3-methoxyphenyl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[(1S)-1-(3-methoxyphenyl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[(1S)-1-(3-methoxyphenyl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole is COc1cccc([C@H](C)N2CCC(c3nc(-c4ccccn4)no3)CC2)c1.
What is the InChIKey of 5-[1-[(1S)-1-(3-methoxyphenyl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is BYMLOKFFUFOEPZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15(17-6-5-7-18(14-17)26-2)25-12-9-16(10-13-25)21-23-20(24-27-21)19-8-3-4-11-22-19/h3-8,11,14-16H,9-10,12-13H2,1-2H3/t15-/m0/s1.
What are the key properties of 5-[1-[(1S)-1-(3-methoxyphenyl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole?
5-[1-[(1S)-1-(3-methoxyphenyl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 364.45 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(1S)-1-(3-methoxyphenyl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 164640601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).