4-[7-[[4-[(4-benzoylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[4-[(4-methylsulfonylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C157H176N16O26S2 — CID 157297656

About 4-[7-[[4-[(4-benzoylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[4-[(4-methylsulfonylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

4-[7-[[4-[(4-benzoylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[4-[(4-methylsulfonylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 157297656) has the molecular formula C157H176N16O26S2 and a molecular weight of 2767.35 g/mol. Its IUPAC name is 4-[7-[[4-[(4-benzoylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[4-[(4-methylsulfonylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 4-[7-[[4-[(4-benzoylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[4-[(4-methylsulfonylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 157297656
• Molecular Formula: C157H176N16O26S2
• Molecular Weight: 2767.35 g/mol
• Exact Mass: 2765.24
• IUPAC Name: 4-[7-[[4-[(4-benzoylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[4-[(4-methylsulfonylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: CS(=O)(=O)C1CCN(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)CC1.O=C1CCC(N2Cc3c(OCc4ccc(CN5CCC(Cc6ccccc6)CC5)cc4)cccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3c(OCc4ccc(CN5CCN(C(=O)C6CCCCC6)CC5)cc4)cccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3c(OCc4ccc(CN5CCN(C(=O)c6ccccc6)CC5)cc4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4ccc(CN5CCN(S(=O)(=O)C6CCCCC6)CC5)cc4)cccc3C2=O)C(=O)C1
• InChI: InChI=1S/C33H33N3O5.C33H35N3O4.C32H38N4O5.C32H39N3O6S.C27H31N3O6S/c37-26-13-14-29(30(38)19-26)36-21-28-27(33(36)40)7-4-8-31(28)41-22-24-11-9-23(10-12-24)20-34-15-17-35(18-16-34)32(39)25-5-2-1-3-6-25;37-31-14-13-29(32(38)34-31)36-21-28-27(33(36)39)7-4-8-30(28)40-22-26-11-9-25(10-12-26)20-35-17-15-24(16-18-35)19-23-5-2-1-3-6-23;37-29-14-13-27(30(38)33-29)36-20-26-25(32(36)40)7-4-8-28(26)41-21-23-11-9-22(10-12-23)19-34-15-17-35(18-16-34)31(39)24-5-2-1-3-6-24;36-25-13-14-29(30(37)19-25)35-21-28-27(32(35)38)7-4-8-31(28)41-22-24-11-9-23(10-12-24)20-33-15-17-34(18-16-33)42(39,40)26-5-2-1-3-6-26;1-37(34,35)20-11-13-29(14-12-20)15-18-5-7-19(8-6-18)17-36-24-4-2-3-21-22(24)16-30(27(21)33)23-9-10-25(31)28-26(23)32/h1-12,29H,13-22H2;1-12,24,29H,13-22H2,(H,34,37,38);4,7-12,24,27H,1-3,5-6,13-21H2,(H,33,37,38);4,7-12,26,29H,1-3,5-6,13-22H2;2-8,20,23H,9-17H2,1H3,(H,28,31,32)
• InChIKey: BBNIIRIORWNOPU-UHFFFAOYSA-N
• XLogP: 17.33
• TPSA: 482.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 31
• Rotatable Bonds: 37
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2767.35
LogP ≤ 5	17.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[7-[[4-[(4-benzoylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[4-[(4-methylsulfonylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 4-[7-[[4-[(4-benzoylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[4-[(4-methylsulfonylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 157297656) is 4-[7-[[4-[(4-benzoylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[4-[(4-methylsulfonylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 4-[7-[[4-[(4-benzoylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[4-[(4-methylsulfonylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 4-[7-[[4-[(4-benzoylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[4-[(4-methylsulfonylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is CS(=O)(=O)C1CCN(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)CC1.O=C1CCC(N2Cc3c(OCc4ccc(CN5CCC(Cc6ccccc6)CC5)cc4)cccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3c(OCc4ccc(CN5CCN(C(=O)C6CCCCC6)CC5)cc4)cccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3c(OCc4ccc(CN5CCN(C(=O)c6ccccc6)CC5)cc4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4ccc(CN5CCN(S(=O)(=O)C6CCCCC6)CC5)cc4)cccc3C2=O)C(=O)C1.

What is the InChIKey of 4-[7-[[4-[(4-benzoylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[4-[(4-methylsulfonylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is BBNIIRIORWNOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N3O5.C33H35N3O4.C32H38N4O5.C32H39N3O6S.C27H31N3O6S/c37-26-13-14-29(30(38)19-26)36-21-28-27(33(36)40)7-4-8-31(28)41-22-24-11-9-23(10-12-24)20-34-15-17-35(18-16-34)32(39)25-5-2-1-3-6-25;37-31-14-13-29(32(38)34-31)36-21-28-27(33(36)39)7-4-8-30(28)40-22-26-11-9-25(10-12-26)20-35-17-15-24(16-18-35)19-23-5-2-1-3-6-23;37-29-14-13-27(30(38)33-29)36-20-26-25(32(36)40)7-4-8-28(26)41-21-23-11-9-22(10-12-23)19-34-15-17-35(18-16-34)31(39)24-5-2-1-3-6-24;36-25-13-14-29(30(37)19-25)35-21-28-27(32(35)38)7-4-8-31(28)41-22-24-11-9-23(10-12-24)20-33-15-17-34(18-16-33)42(39,40)26-5-2-1-3-6-26;1-37(34,35)20-11-13-29(14-12-20)15-18-5-7-19(8-6-18)17-36-24-4-2-3-21-22(24)16-30(27(21)33)23-9-10-25(31)28-26(23)32/h1-12,29H,13-22H2;1-12,24,29H,13-22H2,(H,34,37,38);4,7-12,24,27H,1-3,5-6,13-21H2,(H,33,37,38);4,7-12,26,29H,1-3,5-6,13-22H2;2-8,20,23H,9-17H2,1H3,(H,28,31,32).

What are the key properties of 4-[7-[[4-[(4-benzoylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[4-[(4-methylsulfonylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

4-[7-[[4-[(4-benzoylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[4-[(4-methylsulfonylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 2767.35 g/mol, XLogP of 17.33, 37 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-[[4-[(4-benzoylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[4-[(4-methylsulfonylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 157297656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).