1-[3-(3-ethenyl-4-methylphenyl)-5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]piperidine-4-carbonitrile

C25H31N5O4S — CID 143810882

IUPAC1-[3-(3-ethenyl-4-methylphenyl)-5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]piperidine-4-carbonitrile
SMILESC=Cc1cc(C2CC(c3nc(CS(C)(=O)=O)no3)CN(C(=O)N3CCC(C#N)CC3)C2)ccc1C
InChIInChI=1S/C25H31N5O4S/c1-4-19-11-20(6-5-17(19)2)21-12-22(24-27-23(28-34-24)16-35(3,32)33)15-30(14-21)25(31)29-9-7-18(13-26)8-10-29/h4-6,11,18,21-22H,1,7-10,12,14-16H2,2-3H3
InChIKeyURWMDYSCASHLON-UHFFFAOYSA-N
MW497.62 g/mol
LogP3.49
Rot. Bonds5

About 1-[3-(3-ethenyl-4-methylphenyl)-5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]piperidine-4-carbonitrile

1-[3-(3-ethenyl-4-methylphenyl)-5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]piperidine-4-carbonitrile (PubChem CID 143810882) has the molecular formula C25H31N5O4S and a molecular weight of 497.62 g/mol. Its IUPAC name is 1-[3-(3-ethenyl-4-methylphenyl)-5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[3-(3-ethenyl-4-methylphenyl)-5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]piperidine-4-carbonitrile
PubChem CID143810882
Molecular FormulaC25H31N5O4S
Molecular Weight497.62 g/mol
Exact Mass497.21
IUPAC Name1-[3-(3-ethenyl-4-methylphenyl)-5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]piperidine-4-carbonitrile
SMILESC=Cc1cc(C2CC(c3nc(CS(C)(=O)=O)no3)CN(C(=O)N3CCC(C#N)CC3)C2)ccc1C
InChIInChI=1S/C25H31N5O4S/c1-4-19-11-20(6-5-17(19)2)21-12-22(24-27-23(28-34-24)16-35(3,32)33)15-30(14-21)25(31)29-9-7-18(13-26)8-10-29/h4-6,11,18,21-22H,1,7-10,12,14-16H2,2-3H3
InChIKeyURWMDYSCASHLON-UHFFFAOYSA-N
XLogP3.49
TPSA120.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.62
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[3-(3-ethenyl-4-methylphenyl)-5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]piperidine-4-carbonitrile 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-[3-(3,4-dimethylphenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]piperidine-4-carbonitrile
CID 58002619
[3-(3,4-dimethylphenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 58002259
1-[3-[3-(1-methoxy-2-methylpropan-2-yl)-1,2,4-oxadiazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]piperidine-4-carbonitrile
CID 58002145
[1-(4-cyanopiperidine-1-carbonyl)-5-(3,4-dimethylphenyl)piperidin-3-yl] methyl carbonate
CID 67084335
5-cyclopropyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazole
CID 47395992
[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-[3-methyl-4-(trifluoromethoxy)phenyl]piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 58002657
[3-(4-ethylphenyl)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 58002312
[3-(3,4-dimethylphenyl)-5-[3-(1-methoxy-2-methylpropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 58002658
morpholin-4-yl-[3-(3-propyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone
CID 58002278
1-[(3S)-3-[3-[(2,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]propan-1-one
CID 129471624
morpholin-4-yl-[3-[3-(oxetan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 58116508
[3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 58116518

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-ethenyl-4-methylphenyl)-5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]piperidine-4-carbonitrile?
The IUPAC name of 1-[3-(3-ethenyl-4-methylphenyl)-5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]piperidine-4-carbonitrile (CID 143810882) is 1-[3-(3-ethenyl-4-methylphenyl)-5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[3-(3-ethenyl-4-methylphenyl)-5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[3-(3-ethenyl-4-methylphenyl)-5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]piperidine-4-carbonitrile is C=Cc1cc(C2CC(c3nc(CS(C)(=O)=O)no3)CN(C(=O)N3CCC(C#N)CC3)C2)ccc1C.
What is the InChIKey of 1-[3-(3-ethenyl-4-methylphenyl)-5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]piperidine-4-carbonitrile?
The InChIKey is URWMDYSCASHLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O4S/c1-4-19-11-20(6-5-17(19)2)21-12-22(24-27-23(28-34-24)16-35(3,32)33)15-30(14-21)25(31)29-9-7-18(13-26)8-10-29/h4-6,11,18,21-22H,1,7-10,12,14-16H2,2-3H3.
What are the key properties of 1-[3-(3-ethenyl-4-methylphenyl)-5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]piperidine-4-carbonitrile?
1-[3-(3-ethenyl-4-methylphenyl)-5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]piperidine-4-carbonitrile has a molecular weight of 497.62 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-ethenyl-4-methylphenyl)-5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]piperidine-4-carbonitrile is sourced from PubChem (CID 143810882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).