2-[1-benzyl-4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxopiperazin-2-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide;2-[4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]acetamide;2-[4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-(3-phenylpropyl)acetamide;1-[2-(2,4-dichlorophenyl)ethyl]-3-[5-(5-methoxy-1H-indol-3-yl)-2-oxopentyl]-4-(2-thiophen-2-ylethyl)piperazine-2,5-dione

C121H127Cl9N12O14S3 — CID 158719349

About 2-[1-benzyl-4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxopiperazin-2-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide;2-[4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]acetamide;2-[4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-(3-phenylpropyl)acetamide;1-[2-(2,4-dichlorophenyl)ethyl]-3-[5-(5-methoxy-1H-indol-3-yl)-2-oxopentyl]-4-(2-thiophen-2-ylethyl)piperazine-2,5-dione

2-[1-benzyl-4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxopiperazin-2-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide;2-[4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]acetamide;2-[4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-(3-phenylpropyl)acetamide;1-[2-(2,4-dichlorophenyl)ethyl]-3-[5-(5-methoxy-1H-indol-3-yl)-2-oxopentyl]-4-(2-thiophen-2-ylethyl)piperazine-2,5-dione (PubChem CID 158719349) has the molecular formula C121H127Cl9N12O14S3 and a molecular weight of 2388.69 g/mol. Its IUPAC name is 2-[1-benzyl-4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxopiperazin-2-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide;2-[4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]acetamide;2-[4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-(3-phenylpropyl)acetamide;1-[2-(2,4-dichlorophenyl)ethyl]-3-[5-(5-methoxy-1H-indol-3-yl)-2-oxopentyl]-4-(2-thiophen-2-ylethyl)piperazine-2,5-dione.

Molecular Properties

• Compound Name: 2-[1-benzyl-4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxopiperazin-2-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide;2-[4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]acetamide;2-[4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-(3-phenylpropyl)acetamide;1-[2-(2,4-dichlorophenyl)ethyl]-3-[5-(5-methoxy-1H-indol-3-yl)-2-oxopentyl]-4-(2-thiophen-2-ylethyl)piperazine-2,5-dione
• PubChem CID: 158719349
• Molecular Formula: C121H127Cl9N12O14S3
• Molecular Weight: 2388.69 g/mol
• Exact Mass: 2382.60
• IUPAC Name: 2-[1-benzyl-4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxopiperazin-2-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide;2-[4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]acetamide;2-[4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-(3-phenylpropyl)acetamide;1-[2-(2,4-dichlorophenyl)ethyl]-3-[5-(5-methoxy-1H-indol-3-yl)-2-oxopentyl]-4-(2-thiophen-2-ylethyl)piperazine-2,5-dione
• SMILES: CCc1cc(CCNC(=O)CC2C(=O)N(CCc3ccc(Cl)cc3Cl)CC(=O)N2CCc2cccs2)ccc1OC.COc1ccc2[nH]cc(CCCC(=O)CC3C(=O)N(CCc4ccc(Cl)cc4Cl)CC(=O)N3CCc3cccs3)c2c1.O=C(CC1C(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCc1cccs1)NCCCc1ccccc1.O=C(CC1C(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1Cc1ccccc1)NCCc1ccc(Cl)cc1
• InChI: InChI=1S/C32H33Cl2N3O4S.C31H35Cl2N3O4S.C29H28Cl3N3O3.C29H31Cl2N3O3S/c1-41-25-9-10-29-27(18-25)22(19-35-29)4-2-5-24(38)17-30-32(40)36(13-11-21-7-8-23(33)16-28(21)34)20-31(39)37(30)14-12-26-6-3-15-42-26;1-3-22-17-21(6-9-28(22)40-2)10-13-34-29(37)19-27-31(39)35(14-11-23-7-8-24(32)18-26(23)33)20-30(38)36(27)15-12-25-5-4-16-41-25;30-23-9-6-20(7-10-23)12-14-33-27(36)17-26-29(38)34(15-13-22-8-11-24(31)16-25(22)32)19-28(37)35(26)18-21-4-2-1-3-5-21;30-23-11-10-22(25(31)18-23)12-15-33-20-28(36)34(16-13-24-9-5-17-38-24)26(29(33)37)19-27(35)32-14-4-8-21-6-2-1-3-7-21/h3,6-10,15-16,18-19,30,35H,2,4-5,11-14,17,20H2,1H3;4-9,16-18,27H,3,10-15,19-20H2,1-2H3,(H,34,37);1-11,16,26H,12-15,17-19H2,(H,33,36);1-3,5-7,9-11,17-18,26H,4,8,12-16,19-20H2,(H,32,35)
• InChIKey: IJSFPFLSTZVQOZ-UHFFFAOYSA-N
• XLogP: 21.75
• TPSA: 301.10 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 48
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2388.69
LogP ≤ 5	21.75
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[1-benzyl-4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxopiperazin-2-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide;2-[4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]acetamide;2-[4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-(3-phenylpropyl)acetamide;1-[2-(2,4-dichlorophenyl)ethyl]-3-[5-(5-methoxy-1H-indol-3-yl)-2-oxopentyl]-4-(2-thiophen-2-ylethyl)piperazine-2,5-dione?

The IUPAC name of 2-[1-benzyl-4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxopiperazin-2-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide;2-[4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]acetamide;2-[4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-(3-phenylpropyl)acetamide;1-[2-(2,4-dichlorophenyl)ethyl]-3-[5-(5-methoxy-1H-indol-3-yl)-2-oxopentyl]-4-(2-thiophen-2-ylethyl)piperazine-2,5-dione (CID 158719349) is 2-[1-benzyl-4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxopiperazin-2-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide;2-[4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]acetamide;2-[4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-(3-phenylpropyl)acetamide;1-[2-(2,4-dichlorophenyl)ethyl]-3-[5-(5-methoxy-1H-indol-3-yl)-2-oxopentyl]-4-(2-thiophen-2-ylethyl)piperazine-2,5-dione.

What is the SMILES notation for 2-[1-benzyl-4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxopiperazin-2-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide;2-[4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]acetamide;2-[4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-(3-phenylpropyl)acetamide;1-[2-(2,4-dichlorophenyl)ethyl]-3-[5-(5-methoxy-1H-indol-3-yl)-2-oxopentyl]-4-(2-thiophen-2-ylethyl)piperazine-2,5-dione?

The canonical SMILES for 2-[1-benzyl-4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxopiperazin-2-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide;2-[4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]acetamide;2-[4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-(3-phenylpropyl)acetamide;1-[2-(2,4-dichlorophenyl)ethyl]-3-[5-(5-methoxy-1H-indol-3-yl)-2-oxopentyl]-4-(2-thiophen-2-ylethyl)piperazine-2,5-dione is CCc1cc(CCNC(=O)CC2C(=O)N(CCc3ccc(Cl)cc3Cl)CC(=O)N2CCc2cccs2)ccc1OC.COc1ccc2[nH]cc(CCCC(=O)CC3C(=O)N(CCc4ccc(Cl)cc4Cl)CC(=O)N3CCc3cccs3)c2c1.O=C(CC1C(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCc1cccs1)NCCCc1ccccc1.O=C(CC1C(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1Cc1ccccc1)NCCc1ccc(Cl)cc1.

What is the InChIKey of 2-[1-benzyl-4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxopiperazin-2-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide;2-[4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]acetamide;2-[4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-(3-phenylpropyl)acetamide;1-[2-(2,4-dichlorophenyl)ethyl]-3-[5-(5-methoxy-1H-indol-3-yl)-2-oxopentyl]-4-(2-thiophen-2-ylethyl)piperazine-2,5-dione?

The InChIKey is IJSFPFLSTZVQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33Cl2N3O4S.C31H35Cl2N3O4S.C29H28Cl3N3O3.C29H31Cl2N3O3S/c1-41-25-9-10-29-27(18-25)22(19-35-29)4-2-5-24(38)17-30-32(40)36(13-11-21-7-8-23(33)16-28(21)34)20-31(39)37(30)14-12-26-6-3-15-42-26;1-3-22-17-21(6-9-28(22)40-2)10-13-34-29(37)19-27-31(39)35(14-11-23-7-8-24(32)18-26(23)33)20-30(38)36(27)15-12-25-5-4-16-41-25;30-23-9-6-20(7-10-23)12-14-33-27(36)17-26-29(38)34(15-13-22-8-11-24(31)16-25(22)32)19-28(37)35(26)18-21-4-2-1-3-5-21;30-23-11-10-22(25(31)18-23)12-15-33-20-28(36)34(16-13-24-9-5-17-38-24)26(29(33)37)19-27(35)32-14-4-8-21-6-2-1-3-7-21/h3,6-10,15-16,18-19,30,35H,2,4-5,11-14,17,20H2,1H3;4-9,16-18,27H,3,10-15,19-20H2,1-2H3,(H,34,37);1-11,16,26H,12-15,17-19H2,(H,33,36);1-3,5-7,9-11,17-18,26H,4,8,12-16,19-20H2,(H,32,35).

What are the key properties of 2-[1-benzyl-4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxopiperazin-2-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide;2-[4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]acetamide;2-[4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-(3-phenylpropyl)acetamide;1-[2-(2,4-dichlorophenyl)ethyl]-3-[5-(5-methoxy-1H-indol-3-yl)-2-oxopentyl]-4-(2-thiophen-2-ylethyl)piperazine-2,5-dione?

2-[1-benzyl-4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxopiperazin-2-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide;2-[4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]acetamide;2-[4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-(3-phenylpropyl)acetamide;1-[2-(2,4-dichlorophenyl)ethyl]-3-[5-(5-methoxy-1H-indol-3-yl)-2-oxopentyl]-4-(2-thiophen-2-ylethyl)piperazine-2,5-dione has a molecular weight of 2388.69 g/mol, XLogP of 21.75, 48 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-benzyl-4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxopiperazin-2-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide;2-[4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]acetamide;2-[4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-(3-phenylpropyl)acetamide;1-[2-(2,4-dichlorophenyl)ethyl]-3-[5-(5-methoxy-1H-indol-3-yl)-2-oxopentyl]-4-(2-thiophen-2-ylethyl)piperazine-2,5-dione is sourced from PubChem (CID 158719349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).