4-[1-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]ethoxy]phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide

C44H43N5O6 — CID 170775296

About 4-[1-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]ethoxy]phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide

4-[1-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]ethoxy]phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide (PubChem CID 170775296) has the molecular formula C44H43N5O6 and a molecular weight of 737.86 g/mol. Its IUPAC name is 4-[1-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]ethoxy]phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide.

Molecular Properties

• Compound Name: 4-[1-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]ethoxy]phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide
• PubChem CID: 170775296
• Molecular Formula: C44H43N5O6
• Molecular Weight: 737.86 g/mol
• Exact Mass: 737.32
• IUPAC Name: 4-[1-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]ethoxy]phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide
• SMILES: CN(C)C(=O)c1ccc(-c2ccc3ccccc3c2Oc2ccc(OCCN3CCN(c4ccc5c(c4)CN(C4CCC(=O)NC4=O)C5=O)CC3)cc2)cc1
• InChI: InChI=1S/C44H43N5O6/c1-46(2)43(52)31-9-7-30(8-10-31)37-17-11-29-5-3-4-6-36(29)41(37)55-35-15-13-34(14-16-35)54-26-25-47-21-23-48(24-22-47)33-12-18-38-32(27-33)28-49(44(38)53)39-19-20-40(50)45-42(39)51/h3-18,27,39H,19-26,28H2,1-2H3,(H,45,50,51)
• InChIKey: DZKHCZAZVZXAIV-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 111.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	737.86
LogP ≤ 5	5.96
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 4-[1-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]ethoxy]phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide?

The IUPAC name of 4-[1-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]ethoxy]phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide (CID 170775296) is 4-[1-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]ethoxy]phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide.

What is the SMILES notation for 4-[1-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]ethoxy]phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide?

The canonical SMILES for 4-[1-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]ethoxy]phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2ccc3ccccc3c2Oc2ccc(OCCN3CCN(c4ccc5c(c4)CN(C4CCC(=O)NC4=O)C5=O)CC3)cc2)cc1.

What is the InChIKey of 4-[1-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]ethoxy]phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide?

The InChIKey is DZKHCZAZVZXAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H43N5O6/c1-46(2)43(52)31-9-7-30(8-10-31)37-17-11-29-5-3-4-6-36(29)41(37)55-35-15-13-34(14-16-35)54-26-25-47-21-23-48(24-22-47)33-12-18-38-32(27-33)28-49(44(38)53)39-19-20-40(50)45-42(39)51/h3-18,27,39H,19-26,28H2,1-2H3,(H,45,50,51).

What are the key properties of 4-[1-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]ethoxy]phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide?

4-[1-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]ethoxy]phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide has a molecular weight of 737.86 g/mol, XLogP of 5.96, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]ethoxy]phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 170775296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).