3-[7-[[1-(8-azabicyclo[3.2.1]octan-3-yl)propan-2-ylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C24H32N4O3 — CID 167724624

About 3-[7-[[1-(8-azabicyclo[3.2.1]octan-3-yl)propan-2-ylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[7-[[1-(8-azabicyclo[3.2.1]octan-3-yl)propan-2-ylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167724624) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 3-[7-[[1-(8-azabicyclo[3.2.1]octan-3-yl)propan-2-ylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[7-[[1-(8-azabicyclo[3.2.1]octan-3-yl)propan-2-ylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 167724624
• Molecular Formula: C24H32N4O3
• Molecular Weight: 424.55 g/mol
• Exact Mass: 424.25
• IUPAC Name: 3-[7-[[1-(8-azabicyclo[3.2.1]octan-3-yl)propan-2-ylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: CC(CC1CC2CCC(C1)N2)NCc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C24H32N4O3/c1-14(9-15-10-17-5-6-18(11-15)26-17)25-12-16-3-2-4-19-20(16)13-28(24(19)31)21-7-8-22(29)27-23(21)30/h2-4,14-15,17-18,21,25-26H,5-13H2,1H3,(H,27,29,30)
• InChIKey: DMUPMPIUMSHXEO-UHFFFAOYSA-N
• XLogP: 1.85
• TPSA: 90.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.55
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	3
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-[7-[[1-(8-azabicyclo[3.2.1]octan-3-yl)propan-2-ylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[7-[[1-(8-azabicyclo[3.2.1]octan-3-yl)propan-2-ylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167724624) is 3-[7-[[1-(8-azabicyclo[3.2.1]octan-3-yl)propan-2-ylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[7-[[1-(8-azabicyclo[3.2.1]octan-3-yl)propan-2-ylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[7-[[1-(8-azabicyclo[3.2.1]octan-3-yl)propan-2-ylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is CC(CC1CC2CCC(C1)N2)NCc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of 3-[7-[[1-(8-azabicyclo[3.2.1]octan-3-yl)propan-2-ylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is DMUPMPIUMSHXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-14(9-15-10-17-5-6-18(11-15)26-17)25-12-16-3-2-4-19-20(16)13-28(24(19)31)21-7-8-22(29)27-23(21)30/h2-4,14-15,17-18,21,25-26H,5-13H2,1H3,(H,27,29,30).

What are the key properties of 3-[7-[[1-(8-azabicyclo[3.2.1]octan-3-yl)propan-2-ylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[7-[[1-(8-azabicyclo[3.2.1]octan-3-yl)propan-2-ylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 424.55 g/mol, XLogP of 1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-[[1-(8-azabicyclo[3.2.1]octan-3-yl)propan-2-ylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167724624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).