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

C30H34N4O6 — CID 156512274

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

3-[6-[[(2R)-1-(4-morpholin-4-ylbenzoyl)piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 156512274) has the molecular formula C30H34N4O6 and a molecular weight of 546.62 g/mol. Its IUPAC name is 3-[6-[[(2R)-1-(4-morpholin-4-ylbenzoyl)piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[6-[[(2R)-1-(4-morpholin-4-ylbenzoyl)piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 156512274
• Molecular Formula: C30H34N4O6
• Molecular Weight: 546.62 g/mol
• Exact Mass: 546.25
• IUPAC Name: 3-[6-[[(2R)-1-(4-morpholin-4-ylbenzoyl)piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: O=C1CCC(N2Cc3cc(OC[C@H]4CCCCN4C(=O)c4ccc(N5CCOCC5)cc4)ccc3C2=O)C(=O)N1
• InChI: InChI=1S/C30H34N4O6/c35-27-11-10-26(28(36)31-27)34-18-21-17-24(8-9-25(21)30(34)38)40-19-23-3-1-2-12-33(23)29(37)20-4-6-22(7-5-20)32-13-15-39-16-14-32/h4-9,17,23,26H,1-3,10-16,18-19H2,(H,31,35,36)/t23-,26?/m1/s1
• InChIKey: YQLIAGCDDMFXSR-GEPVFLLWSA-N
• XLogP: 2.36
• TPSA: 108.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.62
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-[6-[[(2R)-1-(4-morpholin-4-ylbenzoyl)piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 156512274) is 3-[6-[[(2R)-1-(4-morpholin-4-ylbenzoyl)piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

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

The canonical SMILES for 3-[6-[[(2R)-1-(4-morpholin-4-ylbenzoyl)piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cc(OC[C@H]4CCCCN4C(=O)c4ccc(N5CCOCC5)cc4)ccc3C2=O)C(=O)N1.

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

The InChIKey is YQLIAGCDDMFXSR-GEPVFLLWSA-N. The full InChI is InChI=1S/C30H34N4O6/c35-27-11-10-26(28(36)31-27)34-18-21-17-24(8-9-25(21)30(34)38)40-19-23-3-1-2-12-33(23)29(37)20-4-6-22(7-5-20)32-13-15-39-16-14-32/h4-9,17,23,26H,1-3,10-16,18-19H2,(H,31,35,36)/t23-,26?/m1/s1.

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

3-[6-[[(2R)-1-(4-morpholin-4-ylbenzoyl)piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 546.62 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[[(2R)-1-(4-morpholin-4-ylbenzoyl)piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 156512274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).