3-[6-[[(2R)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C32H40N4O6 — CID 156500691

About 3-[6-[[(2R)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[[(2R)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 156500691) has the molecular formula C32H40N4O6 and a molecular weight of 576.69 g/mol. Its IUPAC name is 3-[6-[[(2R)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[6-[[(2R)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 156500691
• Molecular Formula: C32H40N4O6
• Molecular Weight: 576.69 g/mol
• Exact Mass: 576.29
• IUPAC Name: 3-[6-[[(2R)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: O=C1CCC(N2Cc3cc(OC[C@H]4CCCCN4Cc4ccccc4OCCN4CCOCC4)ccc3C2=O)C(=O)N1
• InChI: InChI=1S/C32H40N4O6/c37-30-11-10-28(31(38)33-30)36-21-24-19-26(8-9-27(24)32(36)39)42-22-25-6-3-4-12-35(25)20-23-5-1-2-7-29(23)41-18-15-34-13-16-40-17-14-34/h1-2,5,7-9,19,25,28H,3-4,6,10-18,20-22H2,(H,33,37,38)/t25-,28?/m1/s1
• InChIKey: YRXBOUCHJKZGGI-RXVAYIKUSA-N
• XLogP: 2.59
• TPSA: 100.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	576.69
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[6-[[(2R)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[6-[[(2R)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 156500691) is 3-[6-[[(2R)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[6-[[(2R)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[6-[[(2R)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cc(OC[C@H]4CCCCN4Cc4ccccc4OCCN4CCOCC4)ccc3C2=O)C(=O)N1.

What is the InChIKey of 3-[6-[[(2R)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is YRXBOUCHJKZGGI-RXVAYIKUSA-N. The full InChI is InChI=1S/C32H40N4O6/c37-30-11-10-28(31(38)33-30)36-21-24-19-26(8-9-27(24)32(36)39)42-22-25-6-3-4-12-35(25)20-23-5-1-2-7-29(23)41-18-15-34-13-16-40-17-14-34/h1-2,5,7-9,19,25,28H,3-4,6,10-18,20-22H2,(H,33,37,38)/t25-,28?/m1/s1.

What are the key properties of 3-[6-[[(2R)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[6-[[(2R)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 576.69 g/mol, XLogP of 2.59, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[[(2R)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 156500691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).