3-[6-[2-[(4-methoxyoxan-4-yl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C26H35N3O6 — CID 146296765

About 3-[6-[2-[(4-methoxyoxan-4-yl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[2-[(4-methoxyoxan-4-yl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 146296765) has the molecular formula C26H35N3O6 and a molecular weight of 485.58 g/mol. Its IUPAC name is 3-[6-[2-[(4-methoxyoxan-4-yl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[6-[2-[(4-methoxyoxan-4-yl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 146296765
• Molecular Formula: C26H35N3O6
• Molecular Weight: 485.58 g/mol
• Exact Mass: 485.25
• IUPAC Name: 3-[6-[2-[(4-methoxyoxan-4-yl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: COC1(CNC2CCCCC2Oc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CCOCC1
• InChI: InChI=1S/C26H35N3O6/c1-33-26(10-12-34-13-11-26)16-27-20-4-2-3-5-22(20)35-18-6-7-19-17(14-18)15-29(25(19)32)21-8-9-23(30)28-24(21)31/h6-7,14,20-22,27H,2-5,8-13,15-16H2,1H3,(H,28,30,31)
• InChIKey: JTBRAUUOQJXMMT-UHFFFAOYSA-N
• XLogP: 1.92
• TPSA: 106.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.58
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-[(4-methoxyoxan-4-yl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[6-[2-[(4-methoxyoxan-4-yl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 146296765) is 3-[6-[2-[(4-methoxyoxan-4-yl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[6-[2-[(4-methoxyoxan-4-yl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[6-[2-[(4-methoxyoxan-4-yl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is COC1(CNC2CCCCC2Oc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CCOCC1.

What is the InChIKey of 3-[6-[2-[(4-methoxyoxan-4-yl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is JTBRAUUOQJXMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O6/c1-33-26(10-12-34-13-11-26)16-27-20-4-2-3-5-22(20)35-18-6-7-19-17(14-18)15-29(25(19)32)21-8-9-23(30)28-24(21)31/h6-7,14,20-22,27H,2-5,8-13,15-16H2,1H3,(H,28,30,31).

What are the key properties of 3-[6-[2-[(4-methoxyoxan-4-yl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[6-[2-[(4-methoxyoxan-4-yl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 485.58 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[2-[(4-methoxyoxan-4-yl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 146296765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).