3-[6-[7-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C28H32N4O4 — CID 169310314

About 3-[6-[7-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[7-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 169310314) has the molecular formula C28H32N4O4 and a molecular weight of 488.59 g/mol. Its IUPAC name is 3-[6-[7-[(4-methoxyphenyl)methyl]-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-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 169310314
• Molecular Formula: C28H32N4O4
• Molecular Weight: 488.59 g/mol
• Exact Mass: 488.24
• IUPAC Name: 3-[6-[7-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: COc1ccc(CN2CCC3(CC2)CN(c2ccc4c(c2)CN(C2CCC(=O)NC2=O)C4=O)C3)cc1
• InChI: InChI=1S/C28H32N4O4/c1-36-22-5-2-19(3-6-22)15-30-12-10-28(11-13-30)17-31(18-28)21-4-7-23-20(14-21)16-32(27(23)35)24-8-9-25(33)29-26(24)34/h2-7,14,24H,8-13,15-18H2,1H3,(H,29,33,34)
• InChIKey: KHWCCFOSVAGUJV-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 82.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.59
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[6-[7-[(4-methoxyphenyl)methyl]-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-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 169310314) is 3-[6-[7-[(4-methoxyphenyl)methyl]-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-[(4-methoxyphenyl)methyl]-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-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is COc1ccc(CN2CCC3(CC2)CN(c2ccc4c(c2)CN(C2CCC(=O)NC2=O)C4=O)C3)cc1.

What is the InChIKey of 3-[6-[7-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is KHWCCFOSVAGUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O4/c1-36-22-5-2-19(3-6-22)15-30-12-10-28(11-13-30)17-31(18-28)21-4-7-23-20(14-21)16-32(27(23)35)24-8-9-25(33)29-26(24)34/h2-7,14,24H,8-13,15-18H2,1H3,(H,29,33,34).

What are the key properties of 3-[6-[7-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[6-[7-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 488.59 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[7-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 169310314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).