4-[[(2R)-2-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]morpholin-4-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C26H33N5O6 — CID 167462637

About 4-[[(2R)-2-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]morpholin-4-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

4-[[(2R)-2-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]morpholin-4-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 167462637) has the molecular formula C26H33N5O6 and a molecular weight of 511.58 g/mol. Its IUPAC name is 4-[[(2R)-2-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]morpholin-4-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 4-[[(2R)-2-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]morpholin-4-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 167462637
• Molecular Formula: C26H33N5O6
• Molecular Weight: 511.58 g/mol
• Exact Mass: 511.24
• IUPAC Name: 4-[[(2R)-2-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]morpholin-4-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: NC1CCN(C(=O)CC[C@@H]2CN(Cc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CCO2)CC1
• InChI: InChI=1S/C26H33N5O6/c27-17-8-10-30(11-9-17)22(33)7-4-18-15-29(12-13-37-18)14-16-2-1-3-19-23(16)26(36)31(25(19)35)20-5-6-21(32)28-24(20)34/h1-3,17-18,20H,4-15,27H2,(H,28,32,34)/t18-,20?/m1/s1
• InChIKey: ODWSXXNVGWONCL-QSVWIEALSA-N
• XLogP: 0.02
• TPSA: 142.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.58
LogP ≤ 5	0.02
H-Bond Donors ≤ 5	2
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 4-[[(2R)-2-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]morpholin-4-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 4-[[(2R)-2-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]morpholin-4-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 167462637) is 4-[[(2R)-2-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]morpholin-4-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 4-[[(2R)-2-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]morpholin-4-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 4-[[(2R)-2-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]morpholin-4-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is NC1CCN(C(=O)CC[C@@H]2CN(Cc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CCO2)CC1.

What is the InChIKey of 4-[[(2R)-2-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]morpholin-4-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is ODWSXXNVGWONCL-QSVWIEALSA-N. The full InChI is InChI=1S/C26H33N5O6/c27-17-8-10-30(11-9-17)22(33)7-4-18-15-29(12-13-37-18)14-16-2-1-3-19-23(16)26(36)31(25(19)35)20-5-6-21(32)28-24(20)34/h1-3,17-18,20H,4-15,27H2,(H,28,32,34)/t18-,20?/m1/s1.

What are the key properties of 4-[[(2R)-2-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]morpholin-4-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

4-[[(2R)-2-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]morpholin-4-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 511.58 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[(2R)-2-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]morpholin-4-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 167462637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).