3-[6-(7-benzyl-2,7-diazaspiro[3.5]nonan-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C27H30N4O3 — CID 169309751

About 3-[6-(7-benzyl-2,7-diazaspiro[3.5]nonan-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-(7-benzyl-2,7-diazaspiro[3.5]nonan-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 169309751) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is 3-[6-(7-benzyl-2,7-diazaspiro[3.5]nonan-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[6-(7-benzyl-2,7-diazaspiro[3.5]nonan-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 169309751
• Molecular Formula: C27H30N4O3
• Molecular Weight: 458.56 g/mol
• Exact Mass: 458.23
• IUPAC Name: 3-[6-(7-benzyl-2,7-diazaspiro[3.5]nonan-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: O=C1CCC(N2Cc3cc(N4CC5(CCN(Cc6ccccc6)CC5)C4)ccc3C2=O)C(=O)N1
• InChI: InChI=1S/C27H30N4O3/c32-24-9-8-23(25(33)28-24)31-16-20-14-21(6-7-22(20)26(31)34)30-17-27(18-30)10-12-29(13-11-27)15-19-4-2-1-3-5-19/h1-7,14,23H,8-13,15-18H2,(H,28,32,33)
• InChIKey: PNONFTPEWDLRQK-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 72.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.56
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	1
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-[6-(7-benzyl-2,7-diazaspiro[3.5]nonan-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[6-(7-benzyl-2,7-diazaspiro[3.5]nonan-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 169309751) is 3-[6-(7-benzyl-2,7-diazaspiro[3.5]nonan-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[6-(7-benzyl-2,7-diazaspiro[3.5]nonan-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[6-(7-benzyl-2,7-diazaspiro[3.5]nonan-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cc(N4CC5(CCN(Cc6ccccc6)CC5)C4)ccc3C2=O)C(=O)N1.

What is the InChIKey of 3-[6-(7-benzyl-2,7-diazaspiro[3.5]nonan-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is PNONFTPEWDLRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c32-24-9-8-23(25(33)28-24)31-16-20-14-21(6-7-22(20)26(31)34)30-17-27(18-30)10-12-29(13-11-27)15-19-4-2-1-3-5-19/h1-7,14,23H,8-13,15-18H2,(H,28,32,33).

What are the key properties of 3-[6-(7-benzyl-2,7-diazaspiro[3.5]nonan-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[6-(7-benzyl-2,7-diazaspiro[3.5]nonan-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 458.56 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-(7-benzyl-2,7-diazaspiro[3.5]nonan-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 169309751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).