(2,5-dioxopyrrolidin-1-yl) 4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperazin-2-yl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[(2R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-(2,2,3,3-tetrafluoropropyl)piperazin-2-yl]benzoate

C56H60F4N8O10 — CID 176667545

About (2,5-dioxopyrrolidin-1-yl) 4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperazin-2-yl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[(2R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-(2,2,3,3-tetrafluoropropyl)piperazin-2-yl]benzoate

(2,5-dioxopyrrolidin-1-yl) 4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperazin-2-yl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[(2R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-(2,2,3,3-tetrafluoropropyl)piperazin-2-yl]benzoate (PubChem CID 176667545) has the molecular formula C56H60F4N8O10 and a molecular weight of 1081.13 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperazin-2-yl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[(2R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-(2,2,3,3-tetrafluoropropyl)piperazin-2-yl]benzoate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperazin-2-yl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[(2R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-(2,2,3,3-tetrafluoropropyl)piperazin-2-yl]benzoate
• PubChem CID: 176667545
• Molecular Formula: C56H60F4N8O10
• Molecular Weight: 1081.13 g/mol
• Exact Mass: 1080.44
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperazin-2-yl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[(2R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-(2,2,3,3-tetrafluoropropyl)piperazin-2-yl]benzoate
• SMILES: COc1cc(C)c2[nH]ccc2c1CN1CCN(C)CC1c1ccc(C(=O)ON2C(=O)CCC2=O)cc1.COc1cc(C)c2[nH]ccc2c1CN1CCN(CC(F)(F)C(F)F)C[C@H]1c1ccc(C(=O)ON2C(=O)CCC2=O)cc1
• InChI: InChI=1S/C29H30F4N4O5.C27H30N4O5/c1-17-13-23(41-2)21(20-9-10-34-26(17)20)14-36-12-11-35(16-29(32,33)28(30)31)15-22(36)18-3-5-19(6-4-18)27(40)42-37-24(38)7-8-25(37)39;1-17-14-23(35-3)21(20-10-11-28-26(17)20)15-30-13-12-29(2)16-22(30)18-4-6-19(7-5-18)27(34)36-31-24(32)8-9-25(31)33/h3-6,9-10,13,22,28,34H,7-8,11-12,14-16H2,1-2H3;4-7,10-11,14,22,28H,8-9,12-13,15-16H2,1-3H3/t22-;/m0./s1
• InChIKey: ZMQVGARJAYAEAZ-FTBISJDPSA-N
• XLogP: 7.66
• TPSA: 190.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 15
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1081.13
LogP ≤ 5	7.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperazin-2-yl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[(2R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-(2,2,3,3-tetrafluoropropyl)piperazin-2-yl]benzoate?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperazin-2-yl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[(2R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-(2,2,3,3-tetrafluoropropyl)piperazin-2-yl]benzoate (CID 176667545) is (2,5-dioxopyrrolidin-1-yl) 4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperazin-2-yl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[(2R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-(2,2,3,3-tetrafluoropropyl)piperazin-2-yl]benzoate.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperazin-2-yl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[(2R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-(2,2,3,3-tetrafluoropropyl)piperazin-2-yl]benzoate?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperazin-2-yl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[(2R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-(2,2,3,3-tetrafluoropropyl)piperazin-2-yl]benzoate is COc1cc(C)c2[nH]ccc2c1CN1CCN(C)CC1c1ccc(C(=O)ON2C(=O)CCC2=O)cc1.COc1cc(C)c2[nH]ccc2c1CN1CCN(CC(F)(F)C(F)F)C[C@H]1c1ccc(C(=O)ON2C(=O)CCC2=O)cc1.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperazin-2-yl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[(2R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-(2,2,3,3-tetrafluoropropyl)piperazin-2-yl]benzoate?

The InChIKey is ZMQVGARJAYAEAZ-FTBISJDPSA-N. The full InChI is InChI=1S/C29H30F4N4O5.C27H30N4O5/c1-17-13-23(41-2)21(20-9-10-34-26(17)20)14-36-12-11-35(16-29(32,33)28(30)31)15-22(36)18-3-5-19(6-4-18)27(40)42-37-24(38)7-8-25(37)39;1-17-14-23(35-3)21(20-10-11-28-26(17)20)15-30-13-12-29(2)16-22(30)18-4-6-19(7-5-18)27(34)36-31-24(32)8-9-25(31)33/h3-6,9-10,13,22,28,34H,7-8,11-12,14-16H2,1-2H3;4-7,10-11,14,22,28H,8-9,12-13,15-16H2,1-3H3/t22-;/m0./s1.

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperazin-2-yl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[(2R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-(2,2,3,3-tetrafluoropropyl)piperazin-2-yl]benzoate?

(2,5-dioxopyrrolidin-1-yl) 4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperazin-2-yl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[(2R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-(2,2,3,3-tetrafluoropropyl)piperazin-2-yl]benzoate has a molecular weight of 1081.13 g/mol, XLogP of 7.66, 15 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) 4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperazin-2-yl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[(2R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-(2,2,3,3-tetrafluoropropyl)piperazin-2-yl]benzoate is sourced from PubChem (CID 176667545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).