[1-[4-[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone

C25H26N4O6S — CID 50825012

IUPAC[1-[4-[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(S(=O)(=O)c2ccc(-c3noc(-c4ccc5c(c4)OCO5)n3)cc2)CC1)N1CCCC1
InChIInChI=1S/C25H26N4O6S/c30-25(28-11-1-2-12-28)18-9-13-29(14-10-18)36(31,32)20-6-3-17(4-7-20)23-26-24(35-27-23)19-5-8-21-22(15-19)34-16-33-21/h3-8,15,18H,1-2,9-14,16H2
InChIKeyFSCPUGHDSVTFFG-UHFFFAOYSA-N
MW510.57 g/mol
LogP3.16
Rot. Bonds5

About [1-[4-[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-[4-[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 50825012) has the molecular formula C25H26N4O6S and a molecular weight of 510.57 g/mol. Its IUPAC name is [1-[4-[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[4-[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID50825012
Molecular FormulaC25H26N4O6S
Molecular Weight510.57 g/mol
Exact Mass510.16
IUPAC Name[1-[4-[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(S(=O)(=O)c2ccc(-c3noc(-c4ccc5c(c4)OCO5)n3)cc2)CC1)N1CCCC1
InChIInChI=1S/C25H26N4O6S/c30-25(28-11-1-2-12-28)18-9-13-29(14-10-18)36(31,32)20-6-3-17(4-7-20)23-26-24(35-27-23)19-5-8-21-22(15-19)34-16-33-21/h3-8,15,18H,1-2,9-14,16H2
InChIKeyFSCPUGHDSVTFFG-UHFFFAOYSA-N
XLogP3.16
TPSA115.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.57
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [1-[4-[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone with MolForge

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

Launch Full Analysis

Related Compounds

[1-[4-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 46380721
[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 26500531
[4-(1,3-benzodioxol-5-ylsulfonyl)piperazin-1-yl]-cyclohexylmethanone
CID 110347021
[(2R)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 93071671
[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51294863
piperidin-1-yl-[3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methanone
CID 53031173
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methanone
CID 6963945
5-(3,5-dimethylphenyl)-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazole
CID 53075313
5-(3-methylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole
CID 53075263
5-(3-methylphenyl)-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazole
CID 53075322
[4-(benzenesulfonyl)piperazin-1-yl]-[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone
CID 38142418
[4-(benzenesulfonyl)piperazin-1-yl]-[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone
CID 38152310

Frequently Asked Questions

What is the IUPAC name of [1-[4-[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[4-[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 50825012) is [1-[4-[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[4-[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[4-[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone is O=C(C1CCN(S(=O)(=O)c2ccc(-c3noc(-c4ccc5c(c4)OCO5)n3)cc2)CC1)N1CCCC1.
What is the InChIKey of [1-[4-[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is FSCPUGHDSVTFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O6S/c30-25(28-11-1-2-12-28)18-9-13-29(14-10-18)36(31,32)20-6-3-17(4-7-20)23-26-24(35-27-23)19-5-8-21-22(15-19)34-16-33-21/h3-8,15,18H,1-2,9-14,16H2.
What are the key properties of [1-[4-[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-[4-[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 510.57 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 50825012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).