3-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-piperidin-1-ylbenzamide

C21H23N5O4 — CID 55552771

IUPAC3-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-piperidin-1-ylbenzamide
SMILESNC(=O)c1ccc(N2CCCCC2)c(NC(=O)CCc2nc(-c3ccco3)no2)c1
InChIInChI=1S/C21H23N5O4/c22-20(28)14-6-7-16(26-10-2-1-3-11-26)15(13-14)23-18(27)8-9-19-24-21(25-30-19)17-5-4-12-29-17/h4-7,12-13H,1-3,8-11H2,(H2,22,28)(H,23,27)
InChIKeyDBZPUOPLOUSSTF-UHFFFAOYSA-N
MW409.45 g/mol
LogP2.99
Rot. Bonds7

About 3-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-piperidin-1-ylbenzamide

3-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-piperidin-1-ylbenzamide (PubChem CID 55552771) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is 3-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name3-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-piperidin-1-ylbenzamide
PubChem CID55552771
Molecular FormulaC21H23N5O4
Molecular Weight409.45 g/mol
Exact Mass409.18
IUPAC Name3-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-piperidin-1-ylbenzamide
SMILESNC(=O)c1ccc(N2CCCCC2)c(NC(=O)CCc2nc(-c3ccco3)no2)c1
InChIInChI=1S/C21H23N5O4/c22-20(28)14-6-7-16(26-10-2-1-3-11-26)15(13-14)23-18(27)8-9-19-24-21(25-30-19)17-5-4-12-29-17/h4-7,12-13H,1-3,8-11H2,(H2,22,28)(H,23,27)
InChIKeyDBZPUOPLOUSSTF-UHFFFAOYSA-N
XLogP2.99
TPSA127.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(2-piperidin-1-ylphenyl)propanamide
CID 36770643
3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-pyrrolidin-1-ylbenzamide
CID 41269960
N-(5-chloro-2-piperidin-1-ylphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 18266633
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1-piperidin-1-ylpropan-1-one
CID 36656689
N-[2-(azepan-1-yl)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 24652788
N-(3,4-dichlorophenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 36654595
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[3-(methylcarbamoylamino)phenyl]propanamide
CID 36862559
N-(5-chloro-2-piperidin-1-ylphenyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 55531183
4-piperidin-1-yl-3-[3-(2,3,4-trimethoxyphenyl)propanoylamino]benzamide
CID 55909549
N-(5-bromo-2-methoxyphenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55906686
[2-(azocan-1-yl)-2-oxoethyl] 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
CID 55554287
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylsulfonylphenyl)propanamide
CID 33160233

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-piperidin-1-ylbenzamide?
The IUPAC name of 3-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-piperidin-1-ylbenzamide (CID 55552771) is 3-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-piperidin-1-ylbenzamide.
What is the SMILES notation for 3-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-piperidin-1-ylbenzamide?
The canonical SMILES for 3-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-piperidin-1-ylbenzamide is NC(=O)c1ccc(N2CCCCC2)c(NC(=O)CCc2nc(-c3ccco3)no2)c1.
What is the InChIKey of 3-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-piperidin-1-ylbenzamide?
The InChIKey is DBZPUOPLOUSSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4/c22-20(28)14-6-7-16(26-10-2-1-3-11-26)15(13-14)23-18(27)8-9-19-24-21(25-30-19)17-5-4-12-29-17/h4-7,12-13H,1-3,8-11H2,(H2,22,28)(H,23,27).
What are the key properties of 3-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-piperidin-1-ylbenzamide?
3-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-piperidin-1-ylbenzamide has a molecular weight of 409.45 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 55552771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).