N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperazin-1-yl]benzamide

C42H44ClN7O6 — CID 134414302

About N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperazin-1-yl]benzamide

N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperazin-1-yl]benzamide (PubChem CID 134414302) has the molecular formula C42H44ClN7O6 and a molecular weight of 778.31 g/mol. Its IUPAC name is N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperazin-1-yl]benzamide.

Molecular Properties

• Compound Name: N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperazin-1-yl]benzamide
• PubChem CID: 134414302
• Molecular Formula: C42H44ClN7O6
• Molecular Weight: 778.31 g/mol
• Exact Mass: 777.30
• IUPAC Name: N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperazin-1-yl]benzamide
• SMILES: N#Cc1ccc(OC2CCC(NC(=O)c3ccc(N4CCN(C5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)cc3)CC2)cc1Cl
• InChI: InChI=1S/C42H44ClN7O6/c43-36-24-33(9-3-27(36)25-44)56-32-10-4-28(5-11-32)45-39(52)26-1-6-29(7-2-26)48-19-21-49(22-20-48)30-15-17-47(18-16-30)31-8-12-34-35(23-31)42(55)50(41(34)54)37-13-14-38(51)46-40(37)53/h1-3,6-9,12,23-24,28,30,32,37H,4-5,10-11,13-22H2,(H,45,52)(H,46,51,53)
• InChIKey: SRMKEEIRTHASLG-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 155.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	778.31
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperazin-1-yl]benzamide?

The IUPAC name of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperazin-1-yl]benzamide (CID 134414302) is N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperazin-1-yl]benzamide.

What is the SMILES notation for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperazin-1-yl]benzamide?

The canonical SMILES for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperazin-1-yl]benzamide is N#Cc1ccc(OC2CCC(NC(=O)c3ccc(N4CCN(C5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)cc3)CC2)cc1Cl.

What is the InChIKey of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperazin-1-yl]benzamide?

The InChIKey is SRMKEEIRTHASLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H44ClN7O6/c43-36-24-33(9-3-27(36)25-44)56-32-10-4-28(5-11-32)45-39(52)26-1-6-29(7-2-26)48-19-21-49(22-20-48)30-15-17-47(18-16-30)31-8-12-34-35(23-31)42(55)50(41(34)54)37-13-14-38(51)46-40(37)53/h1-3,6-9,12,23-24,28,30,32,37H,4-5,10-11,13-22H2,(H,45,52)(H,46,51,53).

What are the key properties of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperazin-1-yl]benzamide?

N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperazin-1-yl]benzamide has a molecular weight of 778.31 g/mol, XLogP of 4.52, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperazin-1-yl]benzamide is sourced from PubChem (CID 134414302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).