4-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-3-(morpholin-4-ylmethyl)benzamide

C26H27ClN4O5 — CID 91394305

About 4-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-3-(morpholin-4-ylmethyl)benzamide

4-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-3-(morpholin-4-ylmethyl)benzamide (PubChem CID 91394305) has the molecular formula C26H27ClN4O5 and a molecular weight of 510.98 g/mol. Its IUPAC name is 4-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-3-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 4-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-3-(morpholin-4-ylmethyl)benzamide
• PubChem CID: 91394305
• Molecular Formula: C26H27ClN4O5
• Molecular Weight: 510.98 g/mol
• Exact Mass: 510.17
• IUPAC Name: 4-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-3-(morpholin-4-ylmethyl)benzamide
• SMILES: O=C1CCC(n2cc3cc(CNC(=O)c4ccc(Cl)c(CN5CCOCC5)c4)ccc3c2O)C(=O)N1
• InChI: InChI=1S/C26H27ClN4O5/c27-21-4-2-17(12-19(21)14-30-7-9-36-10-8-30)24(33)28-13-16-1-3-20-18(11-16)15-31(26(20)35)22-5-6-23(32)29-25(22)34/h1-4,11-12,15,22,35H,5-10,13-14H2,(H,28,33)(H,29,32,34)
• InChIKey: WRWSTSNSJSCZHD-UHFFFAOYSA-N
• XLogP: 2.74
• TPSA: 112.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.98
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	3
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 4-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-3-(morpholin-4-ylmethyl)benzamide?

The IUPAC name of 4-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-3-(morpholin-4-ylmethyl)benzamide (CID 91394305) is 4-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-3-(morpholin-4-ylmethyl)benzamide.

What is the SMILES notation for 4-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-3-(morpholin-4-ylmethyl)benzamide?

The canonical SMILES for 4-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-3-(morpholin-4-ylmethyl)benzamide is O=C1CCC(n2cc3cc(CNC(=O)c4ccc(Cl)c(CN5CCOCC5)c4)ccc3c2O)C(=O)N1.

What is the InChIKey of 4-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-3-(morpholin-4-ylmethyl)benzamide?

The InChIKey is WRWSTSNSJSCZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4O5/c27-21-4-2-17(12-19(21)14-30-7-9-36-10-8-30)24(33)28-13-16-1-3-20-18(11-16)15-31(26(20)35)22-5-6-23(32)29-25(22)34/h1-4,11-12,15,22,35H,5-10,13-14H2,(H,28,33)(H,29,32,34).

What are the key properties of 4-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-3-(morpholin-4-ylmethyl)benzamide?

4-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-3-(morpholin-4-ylmethyl)benzamide has a molecular weight of 510.98 g/mol, XLogP of 2.74, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-3-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 91394305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).