3-(4-chlorophenyl)-1-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propane-1,2-dione;3-(5-chloro-2-pyridinyl)-1-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propane-1,2-dione;3-(5-chloro-2-pyridinyl)-1-(3-methylidenespiro[2H-isoindole-1,4'-piperidine]-1'-yl)propane-1,2-dione;N-(5-chloro-2-pyridinyl)-2-(2-methyl-3-methylidenespiro[isoindole-1,4'-piperidine]-1'-yl)-2-oxoacetamide;1-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)-3-(4-methylphenyl)propane-1,2-dione

C105H100Cl7N11O13 — CID 159576628

About 3-(4-chlorophenyl)-1-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propane-1,2-dione;3-(5-chloro-2-pyridinyl)-1-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propane-1,2-dione;3-(5-chloro-2-pyridinyl)-1-(3-methylidenespiro[2H-isoindole-1,4'-piperidine]-1'-yl)propane-1,2-dione;N-(5-chloro-2-pyridinyl)-2-(2-methyl-3-methylidenespiro[isoindole-1,4'-piperidine]-1'-yl)-2-oxoacetamide;1-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)-3-(4-methylphenyl)propane-1,2-dione

3-(4-chlorophenyl)-1-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propane-1,2-dione;3-(5-chloro-2-pyridinyl)-1-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propane-1,2-dione;3-(5-chloro-2-pyridinyl)-1-(3-methylidenespiro[2H-isoindole-1,4'-piperidine]-1'-yl)propane-1,2-dione;N-(5-chloro-2-pyridinyl)-2-(2-methyl-3-methylidenespiro[isoindole-1,4'-piperidine]-1'-yl)-2-oxoacetamide;1-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)-3-(4-methylphenyl)propane-1,2-dione (PubChem CID 159576628) has the molecular formula C105H100Cl7N11O13 and a molecular weight of 1972.19 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propane-1,2-dione;3-(5-chloro-2-pyridinyl)-1-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propane-1,2-dione;3-(5-chloro-2-pyridinyl)-1-(3-methylidenespiro[2H-isoindole-1,4'-piperidine]-1'-yl)propane-1,2-dione;N-(5-chloro-2-pyridinyl)-2-(2-methyl-3-methylidenespiro[isoindole-1,4'-piperidine]-1'-yl)-2-oxoacetamide;1-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)-3-(4-methylphenyl)propane-1,2-dione.

Molecular Properties

• Compound Name: 3-(4-chlorophenyl)-1-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propane-1,2-dione;3-(5-chloro-2-pyridinyl)-1-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propane-1,2-dione;3-(5-chloro-2-pyridinyl)-1-(3-methylidenespiro[2H-isoindole-1,4'-piperidine]-1'-yl)propane-1,2-dione;N-(5-chloro-2-pyridinyl)-2-(2-methyl-3-methylidenespiro[isoindole-1,4'-piperidine]-1'-yl)-2-oxoacetamide;1-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)-3-(4-methylphenyl)propane-1,2-dione
• PubChem CID: 159576628
• Molecular Formula: C105H100Cl7N11O13
• Molecular Weight: 1972.19 g/mol
• Exact Mass: 1967.53
• IUPAC Name: 3-(4-chlorophenyl)-1-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propane-1,2-dione;3-(5-chloro-2-pyridinyl)-1-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propane-1,2-dione;3-(5-chloro-2-pyridinyl)-1-(3-methylidenespiro[2H-isoindole-1,4'-piperidine]-1'-yl)propane-1,2-dione;N-(5-chloro-2-pyridinyl)-2-(2-methyl-3-methylidenespiro[isoindole-1,4'-piperidine]-1'-yl)-2-oxoacetamide;1-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)-3-(4-methylphenyl)propane-1,2-dione
• SMILES: C=C1NC2(CCN(C(=O)C(=O)Cc3ccc(Cl)cn3)CC2)c2ccccc21.C=C1c2ccccc2C2(CCN(C(=O)C(=O)Nc3ccc(Cl)cn3)CC2)N1C.Cc1ccc(CC(=O)C(=O)N2CCC3(CC2)OCc2cc(Cl)ccc23)cc1.O=C(Cc1ccc(Cl)cc1)C(=O)N1CCC2(CC1)OCc1cc(Cl)ccc12.O=C(Cc1ccc(Cl)cn1)C(=O)N1CCC2(CC1)OCc1cc(Cl)ccc12
• InChI: InChI=1S/C22H22ClNO3.C21H19Cl2NO3.C21H21ClN4O2.C21H20ClN3O2.C20H18Cl2N2O3/c1-15-2-4-16(5-3-15)12-20(25)21(26)24-10-8-22(9-11-24)19-7-6-18(23)13-17(19)14-27-22;22-16-3-1-14(2-4-16)11-19(25)20(26)24-9-7-21(8-10-24)18-6-5-17(23)12-15(18)13-27-21;1-14-16-5-3-4-6-17(16)21(25(14)2)9-11-26(12-10-21)20(28)19(27)24-18-8-7-15(22)13-23-18;1-14-17-4-2-3-5-18(17)21(24-14)8-10-25(11-9-21)20(27)19(26)12-16-7-6-15(22)13-23-16;21-14-2-4-17-13(9-14)12-27-20(17)5-7-24(8-6-20)19(26)18(25)10-16-3-1-15(22)11-23-16/h2-7,13H,8-12,14H2,1H3;1-6,12H,7-11,13H2;3-8,13H,1,9-12H2,2H3,(H,23,24,27);2-7,13,24H,1,8-12H2;1-4,9,11H,5-8,10,12H2
• InChIKey: MIMJMZKVFXILQY-UHFFFAOYSA-N
• XLogP: 17.56
• TPSA: 280.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1972.19
LogP ≤ 5	17.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propane-1,2-dione;3-(5-chloro-2-pyridinyl)-1-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propane-1,2-dione;3-(5-chloro-2-pyridinyl)-1-(3-methylidenespiro[2H-isoindole-1,4'-piperidine]-1'-yl)propane-1,2-dione;N-(5-chloro-2-pyridinyl)-2-(2-methyl-3-methylidenespiro[isoindole-1,4'-piperidine]-1'-yl)-2-oxoacetamide;1-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)-3-(4-methylphenyl)propane-1,2-dione?

The IUPAC name of 3-(4-chlorophenyl)-1-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propane-1,2-dione;3-(5-chloro-2-pyridinyl)-1-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propane-1,2-dione;3-(5-chloro-2-pyridinyl)-1-(3-methylidenespiro[2H-isoindole-1,4'-piperidine]-1'-yl)propane-1,2-dione;N-(5-chloro-2-pyridinyl)-2-(2-methyl-3-methylidenespiro[isoindole-1,4'-piperidine]-1'-yl)-2-oxoacetamide;1-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)-3-(4-methylphenyl)propane-1,2-dione (CID 159576628) is 3-(4-chlorophenyl)-1-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propane-1,2-dione;3-(5-chloro-2-pyridinyl)-1-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propane-1,2-dione;3-(5-chloro-2-pyridinyl)-1-(3-methylidenespiro[2H-isoindole-1,4'-piperidine]-1'-yl)propane-1,2-dione;N-(5-chloro-2-pyridinyl)-2-(2-methyl-3-methylidenespiro[isoindole-1,4'-piperidine]-1'-yl)-2-oxoacetamide;1-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)-3-(4-methylphenyl)propane-1,2-dione.

What is the SMILES notation for 3-(4-chlorophenyl)-1-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propane-1,2-dione;3-(5-chloro-2-pyridinyl)-1-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propane-1,2-dione;3-(5-chloro-2-pyridinyl)-1-(3-methylidenespiro[2H-isoindole-1,4'-piperidine]-1'-yl)propane-1,2-dione;N-(5-chloro-2-pyridinyl)-2-(2-methyl-3-methylidenespiro[isoindole-1,4'-piperidine]-1'-yl)-2-oxoacetamide;1-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)-3-(4-methylphenyl)propane-1,2-dione?

The canonical SMILES for 3-(4-chlorophenyl)-1-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propane-1,2-dione;3-(5-chloro-2-pyridinyl)-1-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propane-1,2-dione;3-(5-chloro-2-pyridinyl)-1-(3-methylidenespiro[2H-isoindole-1,4'-piperidine]-1'-yl)propane-1,2-dione;N-(5-chloro-2-pyridinyl)-2-(2-methyl-3-methylidenespiro[isoindole-1,4'-piperidine]-1'-yl)-2-oxoacetamide;1-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)-3-(4-methylphenyl)propane-1,2-dione is C=C1NC2(CCN(C(=O)C(=O)Cc3ccc(Cl)cn3)CC2)c2ccccc21.C=C1c2ccccc2C2(CCN(C(=O)C(=O)Nc3ccc(Cl)cn3)CC2)N1C.Cc1ccc(CC(=O)C(=O)N2CCC3(CC2)OCc2cc(Cl)ccc23)cc1.O=C(Cc1ccc(Cl)cc1)C(=O)N1CCC2(CC1)OCc1cc(Cl)ccc12.O=C(Cc1ccc(Cl)cn1)C(=O)N1CCC2(CC1)OCc1cc(Cl)ccc12.

What is the InChIKey of 3-(4-chlorophenyl)-1-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propane-1,2-dione;3-(5-chloro-2-pyridinyl)-1-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propane-1,2-dione;3-(5-chloro-2-pyridinyl)-1-(3-methylidenespiro[2H-isoindole-1,4'-piperidine]-1'-yl)propane-1,2-dione;N-(5-chloro-2-pyridinyl)-2-(2-methyl-3-methylidenespiro[isoindole-1,4'-piperidine]-1'-yl)-2-oxoacetamide;1-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)-3-(4-methylphenyl)propane-1,2-dione?

The InChIKey is MIMJMZKVFXILQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO3.C21H19Cl2NO3.C21H21ClN4O2.C21H20ClN3O2.C20H18Cl2N2O3/c1-15-2-4-16(5-3-15)12-20(25)21(26)24-10-8-22(9-11-24)19-7-6-18(23)13-17(19)14-27-22;22-16-3-1-14(2-4-16)11-19(25)20(26)24-9-7-21(8-10-24)18-6-5-17(23)12-15(18)13-27-21;1-14-16-5-3-4-6-17(16)21(25(14)2)9-11-26(12-10-21)20(28)19(27)24-18-8-7-15(22)13-23-18;1-14-17-4-2-3-5-18(17)21(24-14)8-10-25(11-9-21)20(27)19(26)12-16-7-6-15(22)13-23-16;21-14-2-4-17-13(9-14)12-27-20(17)5-7-24(8-6-20)19(26)18(25)10-16-3-1-15(22)11-23-16/h2-7,13H,8-12,14H2,1H3;1-6,12H,7-11,13H2;3-8,13H,1,9-12H2,2H3,(H,23,24,27);2-7,13,24H,1,8-12H2;1-4,9,11H,5-8,10,12H2.

What are the key properties of 3-(4-chlorophenyl)-1-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propane-1,2-dione;3-(5-chloro-2-pyridinyl)-1-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propane-1,2-dione;3-(5-chloro-2-pyridinyl)-1-(3-methylidenespiro[2H-isoindole-1,4'-piperidine]-1'-yl)propane-1,2-dione;N-(5-chloro-2-pyridinyl)-2-(2-methyl-3-methylidenespiro[isoindole-1,4'-piperidine]-1'-yl)-2-oxoacetamide;1-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)-3-(4-methylphenyl)propane-1,2-dione?

3-(4-chlorophenyl)-1-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propane-1,2-dione;3-(5-chloro-2-pyridinyl)-1-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propane-1,2-dione;3-(5-chloro-2-pyridinyl)-1-(3-methylidenespiro[2H-isoindole-1,4'-piperidine]-1'-yl)propane-1,2-dione;N-(5-chloro-2-pyridinyl)-2-(2-methyl-3-methylidenespiro[isoindole-1,4'-piperidine]-1'-yl)-2-oxoacetamide;1-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)-3-(4-methylphenyl)propane-1,2-dione has a molecular weight of 1972.19 g/mol, XLogP of 17.56, 13 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chlorophenyl)-1-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propane-1,2-dione;3-(5-chloro-2-pyridinyl)-1-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propane-1,2-dione;3-(5-chloro-2-pyridinyl)-1-(3-methylidenespiro[2H-isoindole-1,4'-piperidine]-1'-yl)propane-1,2-dione;N-(5-chloro-2-pyridinyl)-2-(2-methyl-3-methylidenespiro[isoindole-1,4'-piperidine]-1'-yl)-2-oxoacetamide;1-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)-3-(4-methylphenyl)propane-1,2-dione is sourced from PubChem (CID 159576628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).