3-[3-oxo-7-[7-(spiro[3.3]heptan-2-ylamino)heptyl]-1H-isoindol-2-yl]piperidine-2,6-dione

C27H37N3O3 — CID 156788872

About 3-[3-oxo-7-[7-(spiro[3.3]heptan-2-ylamino)heptyl]-1H-isoindol-2-yl]piperidine-2,6-dione

3-[3-oxo-7-[7-(spiro[3.3]heptan-2-ylamino)heptyl]-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 156788872) has the molecular formula C27H37N3O3 and a molecular weight of 451.61 g/mol. Its IUPAC name is 3-[3-oxo-7-[7-(spiro[3.3]heptan-2-ylamino)heptyl]-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[3-oxo-7-[7-(spiro[3.3]heptan-2-ylamino)heptyl]-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 156788872
• Molecular Formula: C27H37N3O3
• Molecular Weight: 451.61 g/mol
• Exact Mass: 451.28
• IUPAC Name: 3-[3-oxo-7-[7-(spiro[3.3]heptan-2-ylamino)heptyl]-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: O=C1CCC(N2Cc3c(CCCCCCCNC4CC5(CCC5)C4)cccc3C2=O)C(=O)N1
• InChI: InChI=1S/C27H37N3O3/c31-24-12-11-23(25(32)29-24)30-18-22-19(9-6-10-21(22)26(30)33)8-4-2-1-3-5-15-28-20-16-27(17-20)13-7-14-27/h6,9-10,20,23,28H,1-5,7-8,11-18H2,(H,29,31,32)
• InChIKey: RLVUKPSDCRDZOT-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.61
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-7-[7-(spiro[3.3]heptan-2-ylamino)heptyl]-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[3-oxo-7-[7-(spiro[3.3]heptan-2-ylamino)heptyl]-1H-isoindol-2-yl]piperidine-2,6-dione (CID 156788872) is 3-[3-oxo-7-[7-(spiro[3.3]heptan-2-ylamino)heptyl]-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[3-oxo-7-[7-(spiro[3.3]heptan-2-ylamino)heptyl]-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[3-oxo-7-[7-(spiro[3.3]heptan-2-ylamino)heptyl]-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3c(CCCCCCCNC4CC5(CCC5)C4)cccc3C2=O)C(=O)N1.

What is the InChIKey of 3-[3-oxo-7-[7-(spiro[3.3]heptan-2-ylamino)heptyl]-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is RLVUKPSDCRDZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O3/c31-24-12-11-23(25(32)29-24)30-18-22-19(9-6-10-21(22)26(30)33)8-4-2-1-3-5-15-28-20-16-27(17-20)13-7-14-27/h6,9-10,20,23,28H,1-5,7-8,11-18H2,(H,29,31,32).

What are the key properties of 3-[3-oxo-7-[7-(spiro[3.3]heptan-2-ylamino)heptyl]-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[3-oxo-7-[7-(spiro[3.3]heptan-2-ylamino)heptyl]-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 451.61 g/mol, XLogP of 3.86, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-oxo-7-[7-(spiro[3.3]heptan-2-ylamino)heptyl]-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 156788872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).