3-[3-oxo-7-[[3-(3-piperidin-3-ylpropyl)azetidin-1-yl]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione

C25H34N4O3 — CID 167729453

About 3-[3-oxo-7-[[3-(3-piperidin-3-ylpropyl)azetidin-1-yl]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione

3-[3-oxo-7-[[3-(3-piperidin-3-ylpropyl)azetidin-1-yl]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167729453) has the molecular formula C25H34N4O3 and a molecular weight of 438.57 g/mol. Its IUPAC name is 3-[3-oxo-7-[[3-(3-piperidin-3-ylpropyl)azetidin-1-yl]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[3-oxo-7-[[3-(3-piperidin-3-ylpropyl)azetidin-1-yl]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 167729453
• Molecular Formula: C25H34N4O3
• Molecular Weight: 438.57 g/mol
• Exact Mass: 438.26
• IUPAC Name: 3-[3-oxo-7-[[3-(3-piperidin-3-ylpropyl)azetidin-1-yl]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: O=C1CCC(N2Cc3c(CN4CC(CCCC5CCCNC5)C4)cccc3C2=O)C(=O)N1
• InChI: InChI=1S/C25H34N4O3/c30-23-10-9-22(24(31)27-23)29-16-21-19(7-2-8-20(21)25(29)32)15-28-13-18(14-28)5-1-4-17-6-3-11-26-12-17/h2,7-8,17-18,22,26H,1,3-6,9-16H2,(H,27,30,31)
• InChIKey: CKQQWWPSNWQFIV-UHFFFAOYSA-N
• XLogP: 2.05
• TPSA: 81.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.57
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-7-[[3-(3-piperidin-3-ylpropyl)azetidin-1-yl]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[3-oxo-7-[[3-(3-piperidin-3-ylpropyl)azetidin-1-yl]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167729453) is 3-[3-oxo-7-[[3-(3-piperidin-3-ylpropyl)azetidin-1-yl]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[3-oxo-7-[[3-(3-piperidin-3-ylpropyl)azetidin-1-yl]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[3-oxo-7-[[3-(3-piperidin-3-ylpropyl)azetidin-1-yl]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3c(CN4CC(CCCC5CCCNC5)C4)cccc3C2=O)C(=O)N1.

What is the InChIKey of 3-[3-oxo-7-[[3-(3-piperidin-3-ylpropyl)azetidin-1-yl]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is CKQQWWPSNWQFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3/c30-23-10-9-22(24(31)27-23)29-16-21-19(7-2-8-20(21)25(29)32)15-28-13-18(14-28)5-1-4-17-6-3-11-26-12-17/h2,7-8,17-18,22,26H,1,3-6,9-16H2,(H,27,30,31).

What are the key properties of 3-[3-oxo-7-[[3-(3-piperidin-3-ylpropyl)azetidin-1-yl]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[3-oxo-7-[[3-(3-piperidin-3-ylpropyl)azetidin-1-yl]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 438.57 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-oxo-7-[[3-(3-piperidin-3-ylpropyl)azetidin-1-yl]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167729453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).