3-[6-[(1R,2S)-2-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C27H37N3O5 — CID 150166310

About 3-[6-[(1R,2S)-2-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[(1R,2S)-2-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 150166310) has the molecular formula C27H37N3O5 and a molecular weight of 483.61 g/mol. Its IUPAC name is 3-[6-[(1R,2S)-2-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[6-[(1R,2S)-2-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 150166310
• Molecular Formula: C27H37N3O5
• Molecular Weight: 483.61 g/mol
• Exact Mass: 483.27
• IUPAC Name: 3-[6-[(1R,2S)-2-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: CC(C)(C)OC1CCN([C@H]2CCC[C@H]2Oc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CC1
• InChI: InChI=1S/C27H37N3O5/c1-27(2,3)35-18-11-13-29(14-12-18)21-5-4-6-23(21)34-19-7-8-20-17(15-19)16-30(26(20)33)22-9-10-24(31)28-25(22)32/h7-8,15,18,21-23H,4-6,9-14,16H2,1-3H3,(H,28,31,32)/t21-,22?,23+/m0/s1
• InChIKey: FILZPEKQNMWRPT-OCESARCHSA-N
• XLogP: 3.03
• TPSA: 88.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.61
LogP ≤ 5	3.03
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-[(1R,2S)-2-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[6-[(1R,2S)-2-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 150166310) is 3-[6-[(1R,2S)-2-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[6-[(1R,2S)-2-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[6-[(1R,2S)-2-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is CC(C)(C)OC1CCN([C@H]2CCC[C@H]2Oc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CC1.

What is the InChIKey of 3-[6-[(1R,2S)-2-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is FILZPEKQNMWRPT-OCESARCHSA-N. The full InChI is InChI=1S/C27H37N3O5/c1-27(2,3)35-18-11-13-29(14-12-18)21-5-4-6-23(21)34-19-7-8-20-17(15-19)16-30(26(20)33)22-9-10-24(31)28-25(22)32/h7-8,15,18,21-23H,4-6,9-14,16H2,1-3H3,(H,28,31,32)/t21-,22?,23+/m0/s1.

What are the key properties of 3-[6-[(1R,2S)-2-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[6-[(1R,2S)-2-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 483.61 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[(1R,2S)-2-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 150166310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).