2-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone

C23H32FN5O2 — CID 78881160

IUPAC2-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCc1cc(-c2noc(C(C)N3CCN(CC(=O)N4CCCCC4C)CC3)n2)ccc1F
InChIInChI=1S/C23H32FN5O2/c1-16-14-19(7-8-20(16)24)22-25-23(31-26-22)18(3)28-12-10-27(11-13-28)15-21(30)29-9-5-4-6-17(29)2/h7-8,14,17-18H,4-6,9-13,15H2,1-3H3
InChIKeyQAKOYCWDEFHSPA-UHFFFAOYSA-N
MW429.54 g/mol
LogP3.26
Rot. Bonds5

About 2-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone

2-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone (PubChem CID 78881160) has the molecular formula C23H32FN5O2 and a molecular weight of 429.54 g/mol. Its IUPAC name is 2-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
PubChem CID78881160
Molecular FormulaC23H32FN5O2
Molecular Weight429.54 g/mol
Exact Mass429.25
IUPAC Name2-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCc1cc(-c2noc(C(C)N3CCN(CC(=O)N4CCCCC4C)CC3)n2)ccc1F
InChIInChI=1S/C23H32FN5O2/c1-16-14-19(7-8-20(16)24)22-25-23(31-26-22)18(3)28-12-10-27(11-13-28)15-21(30)29-9-5-4-6-17(29)2/h7-8,14,17-18H,4-6,9-13,15H2,1-3H3
InChIKeyQAKOYCWDEFHSPA-UHFFFAOYSA-N
XLogP3.26
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone (CID 78881160) is 2-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone is Cc1cc(-c2noc(C(C)N3CCN(CC(=O)N4CCCCC4C)CC3)n2)ccc1F.
What is the InChIKey of 2-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is QAKOYCWDEFHSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN5O2/c1-16-14-19(7-8-20(16)24)22-25-23(31-26-22)18(3)28-12-10-27(11-13-28)15-21(30)29-9-5-4-6-17(29)2/h7-8,14,17-18H,4-6,9-13,15H2,1-3H3.
What are the key properties of 2-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
2-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 429.54 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 78881160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).