3-[6-[[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C29H29N5O6 — CID 156500876

About 3-[6-[[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 156500876) has the molecular formula C29H29N5O6 and a molecular weight of 543.58 g/mol. Its IUPAC name is 3-[6-[[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[6-[[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 156500876
• Molecular Formula: C29H29N5O6
• Molecular Weight: 543.58 g/mol
• Exact Mass: 543.21
• IUPAC Name: 3-[6-[[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: Cc1nnc(-c2ccc(C(=O)N3CCCCC3COc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)cc2)o1
• InChI: InChI=1S/C29H29N5O6/c1-17-31-32-27(40-17)18-5-7-19(8-6-18)28(37)33-13-3-2-4-21(33)16-39-22-9-10-23-20(14-22)15-34(29(23)38)24-11-12-25(35)30-26(24)36/h5-10,14,21,24H,2-4,11-13,15-16H2,1H3,(H,30,35,36)
• InChIKey: LXGKYSFJZONJGL-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 134.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.58
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[6-[[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[6-[[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 156500876) is 3-[6-[[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[6-[[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[6-[[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is Cc1nnc(-c2ccc(C(=O)N3CCCCC3COc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)cc2)o1.

What is the InChIKey of 3-[6-[[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is LXGKYSFJZONJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O6/c1-17-31-32-27(40-17)18-5-7-19(8-6-18)28(37)33-13-3-2-4-21(33)16-39-22-9-10-23-20(14-22)15-34(29(23)38)24-11-12-25(35)30-26(24)36/h5-10,14,21,24H,2-4,11-13,15-16H2,1H3,(H,30,35,36).

What are the key properties of 3-[6-[[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[6-[[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 543.58 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 156500876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).