N-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]phenyl]benzamide

C32H32N4O4 — CID 167293493

About N-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]phenyl]benzamide

N-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]phenyl]benzamide (PubChem CID 167293493) has the molecular formula C32H32N4O4 and a molecular weight of 536.63 g/mol. Its IUPAC name is N-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]phenyl]benzamide.

Molecular Properties

• Compound Name: N-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]phenyl]benzamide
• PubChem CID: 167293493
• Molecular Formula: C32H32N4O4
• Molecular Weight: 536.63 g/mol
• Exact Mass: 536.24
• IUPAC Name: N-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]phenyl]benzamide
• SMILES: O=C1CCC(N2Cc3cc(C4CCN(Cc5cccc(NC(=O)c6ccccc6)c5)CC4)ccc3C2=O)C(=O)N1
• InChI: InChI=1S/C32H32N4O4/c37-29-12-11-28(31(39)34-29)36-20-25-18-24(9-10-27(25)32(36)40)22-13-15-35(16-14-22)19-21-5-4-8-26(17-21)33-30(38)23-6-2-1-3-7-23/h1-10,17-18,22,28H,11-16,19-20H2,(H,33,38)(H,34,37,39)
• InChIKey: RQWLWUDPFHHYGA-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 98.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.63
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]phenyl]benzamide?

The IUPAC name of N-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]phenyl]benzamide (CID 167293493) is N-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]phenyl]benzamide.

What is the SMILES notation for N-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]phenyl]benzamide?

The canonical SMILES for N-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]phenyl]benzamide is O=C1CCC(N2Cc3cc(C4CCN(Cc5cccc(NC(=O)c6ccccc6)c5)CC4)ccc3C2=O)C(=O)N1.

What is the InChIKey of N-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]phenyl]benzamide?

The InChIKey is RQWLWUDPFHHYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N4O4/c37-29-12-11-28(31(39)34-29)36-20-25-18-24(9-10-27(25)32(36)40)22-13-15-35(16-14-22)19-21-5-4-8-26(17-21)33-30(38)23-6-2-1-3-7-23/h1-10,17-18,22,28H,11-16,19-20H2,(H,33,38)(H,34,37,39).

What are the key properties of N-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]phenyl]benzamide?

N-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]phenyl]benzamide has a molecular weight of 536.63 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]phenyl]benzamide is sourced from PubChem (CID 167293493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).