N-[3-(4-chlorophenyl)-1-[4-[1-cyclohexyl-2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-1-oxopropan-2-yl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide;dihydrochloride

C35H46Cl3N5O4 — CID 69431831

About N-[3-(4-chlorophenyl)-1-[4-[1-cyclohexyl-2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-1-oxopropan-2-yl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide;dihydrochloride

N-[3-(4-chlorophenyl)-1-[4-[1-cyclohexyl-2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-1-oxopropan-2-yl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide;dihydrochloride (PubChem CID 69431831) has the molecular formula C35H46Cl3N5O4 and a molecular weight of 707.14 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-1-[4-[1-cyclohexyl-2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-1-oxopropan-2-yl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide;dihydrochloride.

Molecular Properties

• Compound Name: N-[3-(4-chlorophenyl)-1-[4-[1-cyclohexyl-2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-1-oxopropan-2-yl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide;dihydrochloride
• PubChem CID: 69431831
• Molecular Formula: C35H46Cl3N5O4
• Molecular Weight: 707.14 g/mol
• Exact Mass: 705.26
• IUPAC Name: N-[3-(4-chlorophenyl)-1-[4-[1-cyclohexyl-2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-1-oxopropan-2-yl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide;dihydrochloride
• SMILES: Cl.Cl.O=C(CC1NCc2ccccc21)NC(Cc1ccc(Cl)cc1)C(=O)N1CCN(C(CN2C(=O)CCC2=O)C2CCCCC2)CC1
• InChI: InChI=1S/C35H44ClN5O4.2ClH/c36-27-12-10-24(11-13-27)20-30(38-32(42)21-29-28-9-5-4-8-26(28)22-37-29)35(45)40-18-16-39(17-19-40)31(25-6-2-1-3-7-25)23-41-33(43)14-15-34(41)44;;/h4-5,8-13,25,29-31,37H,1-3,6-7,14-23H2,(H,38,42);2*1H
• InChIKey: GQIXSIBKHIHJJP-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 102.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	707.14
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-1-[4-[1-cyclohexyl-2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-1-oxopropan-2-yl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide;dihydrochloride?

The IUPAC name of N-[3-(4-chlorophenyl)-1-[4-[1-cyclohexyl-2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-1-oxopropan-2-yl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide;dihydrochloride (CID 69431831) is N-[3-(4-chlorophenyl)-1-[4-[1-cyclohexyl-2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-1-oxopropan-2-yl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide;dihydrochloride.

What is the SMILES notation for N-[3-(4-chlorophenyl)-1-[4-[1-cyclohexyl-2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-1-oxopropan-2-yl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide;dihydrochloride?

The canonical SMILES for N-[3-(4-chlorophenyl)-1-[4-[1-cyclohexyl-2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-1-oxopropan-2-yl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide;dihydrochloride is Cl.Cl.O=C(CC1NCc2ccccc21)NC(Cc1ccc(Cl)cc1)C(=O)N1CCN(C(CN2C(=O)CCC2=O)C2CCCCC2)CC1.

What is the InChIKey of N-[3-(4-chlorophenyl)-1-[4-[1-cyclohexyl-2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-1-oxopropan-2-yl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide;dihydrochloride?

The InChIKey is GQIXSIBKHIHJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H44ClN5O4.2ClH/c36-27-12-10-24(11-13-27)20-30(38-32(42)21-29-28-9-5-4-8-26(28)22-37-29)35(45)40-18-16-39(17-19-40)31(25-6-2-1-3-7-25)23-41-33(43)14-15-34(41)44;;/h4-5,8-13,25,29-31,37H,1-3,6-7,14-23H2,(H,38,42);2*1H.

What are the key properties of N-[3-(4-chlorophenyl)-1-[4-[1-cyclohexyl-2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-1-oxopropan-2-yl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide;dihydrochloride?

N-[3-(4-chlorophenyl)-1-[4-[1-cyclohexyl-2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-1-oxopropan-2-yl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide;dihydrochloride has a molecular weight of 707.14 g/mol, XLogP of 4.69, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-chlorophenyl)-1-[4-[1-cyclohexyl-2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-1-oxopropan-2-yl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide;dihydrochloride is sourced from PubChem (CID 69431831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).