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

C29H40FN5O3 — CID 171641752

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

3-[6-[4-[2-(2,7-diazaspiro[3.5]nonan-7-yl)propan-2-yl]piperidin-1-yl]-7-fluoro-4-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 171641752) has the molecular formula C29H40FN5O3 and a molecular weight of 525.67 g/mol. Its IUPAC name is 3-[6-[4-[2-(2,7-diazaspiro[3.5]nonan-7-yl)propan-2-yl]piperidin-1-yl]-7-fluoro-4-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[6-[4-[2-(2,7-diazaspiro[3.5]nonan-7-yl)propan-2-yl]piperidin-1-yl]-7-fluoro-4-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 171641752
• Molecular Formula: C29H40FN5O3
• Molecular Weight: 525.67 g/mol
• Exact Mass: 525.31
• IUPAC Name: 3-[6-[4-[2-(2,7-diazaspiro[3.5]nonan-7-yl)propan-2-yl]piperidin-1-yl]-7-fluoro-4-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: Cc1cc(N2CCC(C(C)(C)N3CCC4(CC3)CNC4)CC2)c(F)c2c1C(=O)N(C1CCC(=O)NC1=O)C2
• InChI: InChI=1S/C29H40FN5O3/c1-18-14-22(25(30)20-15-35(27(38)24(18)20)21-4-5-23(36)32-26(21)37)33-10-6-19(7-11-33)28(2,3)34-12-8-29(9-13-34)16-31-17-29/h14,19,21,31H,4-13,15-17H2,1-3H3,(H,32,36,37)
• InChIKey: GUCOPSZRNKILKJ-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 84.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.67
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	2
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-[4-[2-(2,7-diazaspiro[3.5]nonan-7-yl)propan-2-yl]piperidin-1-yl]-7-fluoro-4-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[6-[4-[2-(2,7-diazaspiro[3.5]nonan-7-yl)propan-2-yl]piperidin-1-yl]-7-fluoro-4-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 171641752) is 3-[6-[4-[2-(2,7-diazaspiro[3.5]nonan-7-yl)propan-2-yl]piperidin-1-yl]-7-fluoro-4-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[6-[4-[2-(2,7-diazaspiro[3.5]nonan-7-yl)propan-2-yl]piperidin-1-yl]-7-fluoro-4-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[6-[4-[2-(2,7-diazaspiro[3.5]nonan-7-yl)propan-2-yl]piperidin-1-yl]-7-fluoro-4-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is Cc1cc(N2CCC(C(C)(C)N3CCC4(CC3)CNC4)CC2)c(F)c2c1C(=O)N(C1CCC(=O)NC1=O)C2.

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

The InChIKey is GUCOPSZRNKILKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40FN5O3/c1-18-14-22(25(30)20-15-35(27(38)24(18)20)21-4-5-23(36)32-26(21)37)33-10-6-19(7-11-33)28(2,3)34-12-8-29(9-13-34)16-31-17-29/h14,19,21,31H,4-13,15-17H2,1-3H3,(H,32,36,37).

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

3-[6-[4-[2-(2,7-diazaspiro[3.5]nonan-7-yl)propan-2-yl]piperidin-1-yl]-7-fluoro-4-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 525.67 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[4-[2-(2,7-diazaspiro[3.5]nonan-7-yl)propan-2-yl]piperidin-1-yl]-7-fluoro-4-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 171641752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).