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

C43H49ClN6O6 — CID 163403344

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

N-[4-(3-chloro-4-methylphenoxy)cyclohexyl]-4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide (PubChem CID 163403344) has the molecular formula C43H49ClN6O6 and a molecular weight of 781.35 g/mol. Its IUPAC name is N-[4-(3-chloro-4-methylphenoxy)cyclohexyl]-4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide.

Molecular Properties

• Compound Name: N-[4-(3-chloro-4-methylphenoxy)cyclohexyl]-4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide
• PubChem CID: 163403344
• Molecular Formula: C43H49ClN6O6
• Molecular Weight: 781.35 g/mol
• Exact Mass: 780.34
• IUPAC Name: N-[4-(3-chloro-4-methylphenoxy)cyclohexyl]-4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide
• SMILES: Cc1ccc(OC2CCC(NC(=O)c3ccc(N4CCC(CN5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)cc3)CC2)cc1Cl
• InChI: InChI=1S/C43H49ClN6O6/c1-27-2-10-34(25-37(27)44)56-33-11-5-30(6-12-33)45-40(52)29-3-7-31(8-4-29)48-18-16-28(17-19-48)26-47-20-22-49(23-21-47)32-9-13-35-36(24-32)43(55)50(42(35)54)38-14-15-39(51)46-41(38)53/h2-4,7-10,13,24-25,28,30,33,38H,5-6,11-12,14-23,26H2,1H3,(H,45,52)(H,46,51,53)
• InChIKey: IMJZCMWLUUGYIB-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 131.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	781.35
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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-methylphenoxy)cyclohexyl]-4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide?

The IUPAC name of N-[4-(3-chloro-4-methylphenoxy)cyclohexyl]-4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide (CID 163403344) is N-[4-(3-chloro-4-methylphenoxy)cyclohexyl]-4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide.

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

The canonical SMILES for N-[4-(3-chloro-4-methylphenoxy)cyclohexyl]-4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide is Cc1ccc(OC2CCC(NC(=O)c3ccc(N4CCC(CN5CCN(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-methylphenoxy)cyclohexyl]-4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide?

The InChIKey is IMJZCMWLUUGYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H49ClN6O6/c1-27-2-10-34(25-37(27)44)56-33-11-5-30(6-12-33)45-40(52)29-3-7-31(8-4-29)48-18-16-28(17-19-48)26-47-20-22-49(23-21-47)32-9-13-35-36(24-32)43(55)50(42(35)54)38-14-15-39(51)46-41(38)53/h2-4,7-10,13,24-25,28,30,33,38H,5-6,11-12,14-23,26H2,1H3,(H,45,52)(H,46,51,53).

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

N-[4-(3-chloro-4-methylphenoxy)cyclohexyl]-4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide has a molecular weight of 781.35 g/mol, XLogP of 5.21, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-chloro-4-methylphenoxy)cyclohexyl]-4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide is sourced from PubChem (CID 163403344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).