1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

C23H25N5O4S — CID 50824889

About 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 50824889) has the molecular formula C23H25N5O4S and a molecular weight of 467.55 g/mol. Its IUPAC name is 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
• PubChem CID: 50824889
• Molecular Formula: C23H25N5O4S
• Molecular Weight: 467.55 g/mol
• Exact Mass: 467.16
• IUPAC Name: 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
• SMILES: O=C(NCc1cccnc1)C1CCN(S(=O)(=O)c2ccc(-c3noc(C4CC4)n3)cc2)CC1
• InChI: InChI=1S/C23H25N5O4S/c29-22(25-15-16-2-1-11-24-14-16)18-9-12-28(13-10-18)33(30,31)20-7-5-17(6-8-20)21-26-23(32-27-21)19-3-4-19/h1-2,5-8,11,14,18-19H,3-4,9-10,12-13,15H2,(H,25,29)
• InChIKey: LSLMCNNEXCJSNN-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 118.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.55
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?

The IUPAC name of 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 50824889) is 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.

What is the SMILES notation for 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?

The canonical SMILES for 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is O=C(NCc1cccnc1)C1CCN(S(=O)(=O)c2ccc(-c3noc(C4CC4)n3)cc2)CC1.

What is the InChIKey of 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?

The InChIKey is LSLMCNNEXCJSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4S/c29-22(25-15-16-2-1-11-24-14-16)18-9-12-28(13-10-18)33(30,31)20-7-5-17(6-8-20)21-26-23(32-27-21)19-3-4-19/h1-2,5-8,11,14,18-19H,3-4,9-10,12-13,15H2,(H,25,29).

What are the key properties of 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?

1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 467.55 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 50824889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).