4-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide

C24H26N4O4S — CID 45270778

IUPAC4-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2noc(C3CCN(C(=O)NC4CC4c4ccccc4)CC3)n2)cc1
InChIInChI=1S/C24H26N4O4S/c1-33(30,31)19-9-7-17(8-10-19)22-26-23(32-27-22)18-11-13-28(14-12-18)24(29)25-21-15-20(21)16-5-3-2-4-6-16/h2-10,18,20-21H,11-15H2,1H3,(H,25,29)
InChIKeyPPZAIZWNHZKGPM-UHFFFAOYSA-N
MW466.56 g/mol
LogP3.59
Rot. Bonds5

About 4-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide

4-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide (PubChem CID 45270778) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is 4-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
PubChem CID45270778
Molecular FormulaC24H26N4O4S
Molecular Weight466.56 g/mol
Exact Mass466.17
IUPAC Name4-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2noc(C3CCN(C(=O)NC4CC4c4ccccc4)CC3)n2)cc1
InChIInChI=1S/C24H26N4O4S/c1-33(30,31)19-9-7-17(8-10-19)22-26-23(32-27-22)18-11-13-28(14-12-18)24(29)25-21-15-20(21)16-5-3-2-4-6-16/h2-10,18,20-21H,11-15H2,1H3,(H,25,29)
InChIKeyPPZAIZWNHZKGPM-UHFFFAOYSA-N
XLogP3.59
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide?
The IUPAC name of 4-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide (CID 45270778) is 4-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide is CS(=O)(=O)c1ccc(-c2noc(C3CCN(C(=O)NC4CC4c4ccccc4)CC3)n2)cc1.
What is the InChIKey of 4-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide?
The InChIKey is PPZAIZWNHZKGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S/c1-33(30,31)19-9-7-17(8-10-19)22-26-23(32-27-22)18-11-13-28(14-12-18)24(29)25-21-15-20(21)16-5-3-2-4-6-16/h2-10,18,20-21H,11-15H2,1H3,(H,25,29).
What are the key properties of 4-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide?
4-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide has a molecular weight of 466.56 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide is sourced from PubChem (CID 45270778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).