3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-[4-(difluoromethoxy)phenyl]azetidine

C29H33F2N3O5 — CID 166469240

About 3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-[4-(difluoromethoxy)phenyl]azetidine

3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-[4-(difluoromethoxy)phenyl]azetidine (PubChem CID 166469240) has the molecular formula C29H33F2N3O5 and a molecular weight of 541.60 g/mol. Its IUPAC name is 3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-[4-(difluoromethoxy)phenyl]azetidine.

Molecular Properties

• Compound Name: 3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-[4-(difluoromethoxy)phenyl]azetidine
• PubChem CID: 166469240
• Molecular Formula: C29H33F2N3O5
• Molecular Weight: 541.60 g/mol
• Exact Mass: 541.24
• IUPAC Name: 3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-[4-(difluoromethoxy)phenyl]azetidine
• SMILES: FC(F)Oc1ccc(C2CNC2)cc1.O=C1CCC(N2Cc3cc(OC4CCCCC4)ccc3C2=O)C(=O)N1
• InChI: InChI=1S/C19H22N2O4.C10H11F2NO/c22-17-9-8-16(18(23)20-17)21-11-12-10-14(6-7-15(12)19(21)24)25-13-4-2-1-3-5-13;11-10(12)14-9-3-1-7(2-4-9)8-5-13-6-8/h6-7,10,13,16H,1-5,8-9,11H2,(H,20,22,23);1-4,8,10,13H,5-6H2
• InChIKey: AZSUSDMLQUJLBY-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 96.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.60
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-[4-(difluoromethoxy)phenyl]azetidine?

The IUPAC name of 3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-[4-(difluoromethoxy)phenyl]azetidine (CID 166469240) is 3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-[4-(difluoromethoxy)phenyl]azetidine.

What is the SMILES notation for 3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-[4-(difluoromethoxy)phenyl]azetidine?

The canonical SMILES for 3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-[4-(difluoromethoxy)phenyl]azetidine is FC(F)Oc1ccc(C2CNC2)cc1.O=C1CCC(N2Cc3cc(OC4CCCCC4)ccc3C2=O)C(=O)N1.

What is the InChIKey of 3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-[4-(difluoromethoxy)phenyl]azetidine?

The InChIKey is AZSUSDMLQUJLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4.C10H11F2NO/c22-17-9-8-16(18(23)20-17)21-11-12-10-14(6-7-15(12)19(21)24)25-13-4-2-1-3-5-13;11-10(12)14-9-3-1-7(2-4-9)8-5-13-6-8/h6-7,10,13,16H,1-5,8-9,11H2,(H,20,22,23);1-4,8,10,13H,5-6H2.

What are the key properties of 3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-[4-(difluoromethoxy)phenyl]azetidine?

3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-[4-(difluoromethoxy)phenyl]azetidine has a molecular weight of 541.60 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-[4-(difluoromethoxy)phenyl]azetidine is sourced from PubChem (CID 166469240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).