2-(2,6-dioxopiperidin-3-yl)-5-[[(3-methyl-2-oxo-1-piperidin-4-ylazetidin-3-yl)methylamino]methyl]isoindole-1,3-dione

C24H29N5O5 — CID 167738283

About 2-(2,6-dioxopiperidin-3-yl)-5-[[(3-methyl-2-oxo-1-piperidin-4-ylazetidin-3-yl)methylamino]methyl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[[(3-methyl-2-oxo-1-piperidin-4-ylazetidin-3-yl)methylamino]methyl]isoindole-1,3-dione (PubChem CID 167738283) has the molecular formula C24H29N5O5 and a molecular weight of 467.53 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[[(3-methyl-2-oxo-1-piperidin-4-ylazetidin-3-yl)methylamino]methyl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[[(3-methyl-2-oxo-1-piperidin-4-ylazetidin-3-yl)methylamino]methyl]isoindole-1,3-dione
• PubChem CID: 167738283
• Molecular Formula: C24H29N5O5
• Molecular Weight: 467.53 g/mol
• Exact Mass: 467.22
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[[(3-methyl-2-oxo-1-piperidin-4-ylazetidin-3-yl)methylamino]methyl]isoindole-1,3-dione
• SMILES: CC1(CNCc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CN(C2CCNCC2)C1=O
• InChI: InChI=1S/C24H29N5O5/c1-24(13-28(23(24)34)15-6-8-25-9-7-15)12-26-11-14-2-3-16-17(10-14)22(33)29(21(16)32)18-4-5-19(30)27-20(18)31/h2-3,10,15,18,25-26H,4-9,11-13H2,1H3,(H,27,30,31)
• InChIKey: YJPKUVPVIFWYAX-UHFFFAOYSA-N
• XLogP: -0.22
• TPSA: 127.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.53
LogP ≤ 5	-0.22
H-Bond Donors ≤ 5	3
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 2-(2,6-dioxopiperidin-3-yl)-5-[[(3-methyl-2-oxo-1-piperidin-4-ylazetidin-3-yl)methylamino]methyl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[[(3-methyl-2-oxo-1-piperidin-4-ylazetidin-3-yl)methylamino]methyl]isoindole-1,3-dione (CID 167738283) is 2-(2,6-dioxopiperidin-3-yl)-5-[[(3-methyl-2-oxo-1-piperidin-4-ylazetidin-3-yl)methylamino]methyl]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[[(3-methyl-2-oxo-1-piperidin-4-ylazetidin-3-yl)methylamino]methyl]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[[(3-methyl-2-oxo-1-piperidin-4-ylazetidin-3-yl)methylamino]methyl]isoindole-1,3-dione is CC1(CNCc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CN(C2CCNCC2)C1=O.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[[(3-methyl-2-oxo-1-piperidin-4-ylazetidin-3-yl)methylamino]methyl]isoindole-1,3-dione?

The InChIKey is YJPKUVPVIFWYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O5/c1-24(13-28(23(24)34)15-6-8-25-9-7-15)12-26-11-14-2-3-16-17(10-14)22(33)29(21(16)32)18-4-5-19(30)27-20(18)31/h2-3,10,15,18,25-26H,4-9,11-13H2,1H3,(H,27,30,31).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[[(3-methyl-2-oxo-1-piperidin-4-ylazetidin-3-yl)methylamino]methyl]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-[[(3-methyl-2-oxo-1-piperidin-4-ylazetidin-3-yl)methylamino]methyl]isoindole-1,3-dione has a molecular weight of 467.53 g/mol, XLogP of -0.22, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[[(3-methyl-2-oxo-1-piperidin-4-ylazetidin-3-yl)methylamino]methyl]isoindole-1,3-dione is sourced from PubChem (CID 167738283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).