bis(1-[(3-chloro-4-fluorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);1-[(4-chloro-3-fluorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one;1-[(4-chlorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one;tris(1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);bis(1-(3-fluoro-4-methylphenyl)-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);tris(1-[(4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one)

C258H312Cl4F8N48O12 — CID 158553259

About bis(1-[(3-chloro-4-fluorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);1-[(4-chloro-3-fluorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one;1-[(4-chlorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one;tris(1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);bis(1-(3-fluoro-4-methylphenyl)-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);tris(1-[(4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one)

bis(1-[(3-chloro-4-fluorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);1-[(4-chloro-3-fluorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one;1-[(4-chlorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one;tris(1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);bis(1-(3-fluoro-4-methylphenyl)-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);tris(1-[(4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one) (PubChem CID 158553259) has the molecular formula C258H312Cl4F8N48O12 and a molecular weight of 4571.45 g/mol. Its IUPAC name is bis(1-[(3-chloro-4-fluorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);1-[(4-chloro-3-fluorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one;1-[(4-chlorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one;tris(1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);bis(1-(3-fluoro-4-methylphenyl)-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);tris(1-[(4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one).

Molecular Properties

• Compound Name: bis(1-[(3-chloro-4-fluorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);1-[(4-chloro-3-fluorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one;1-[(4-chlorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one;tris(1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);bis(1-(3-fluoro-4-methylphenyl)-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);tris(1-[(4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one)
• PubChem CID: 158553259
• Molecular Formula: C258H312Cl4F8N48O12
• Molecular Weight: 4571.45 g/mol
• Exact Mass: 4566.39
• IUPAC Name: bis(1-[(3-chloro-4-fluorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);1-[(4-chloro-3-fluorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one;1-[(4-chlorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one;tris(1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);bis(1-(3-fluoro-4-methylphenyl)-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);tris(1-[(4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one)
• SMILES: Cc1ccc(CN2CCC(N3CCN(c4ccc(C)cn4)CC3)C2=O)cc1.Cc1ccc(CN2CCC(N3CCN(c4ccc(C)cn4)CC3)C2=O)cc1.Cc1ccc(CN2CCC(N3CCN(c4ccc(C)cn4)CC3)C2=O)cc1.Cc1ccc(N2CCN(C3CCN(Cc4ccc(C)c(F)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCN(Cc4ccc(C)c(F)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCN(Cc4ccc(C)c(F)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCN(Cc4ccc(Cl)c(F)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCN(Cc4ccc(Cl)cc4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCN(Cc4ccc(F)c(Cl)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCN(Cc4ccc(F)c(Cl)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCN(c4ccc(C)c(F)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCN(c4ccc(C)c(F)c4)C3=O)CC2)nc1
• InChI: InChI=1S/3C22H27FN4O.3C22H28N4O.3C21H24ClFN4O.C21H25ClN4O.2C21H25FN4O/c3*1-16-3-6-21(24-14-16)26-11-9-25(10-12-26)20-7-8-27(22(20)28)15-18-5-4-17(2)19(23)13-18;3*1-17-3-6-19(7-4-17)16-26-10-9-20(22(26)27)24-11-13-25(14-12-24)21-8-5-18(2)15-23-21;2*1-15-2-5-20(24-13-15)26-10-8-25(9-11-26)19-6-7-27(21(19)28)14-16-3-4-18(23)17(22)12-16;1-15-2-5-20(24-13-15)26-10-8-25(9-11-26)19-6-7-27(21(19)28)14-16-3-4-17(22)18(23)12-16;1-16-2-7-20(23-14-16)25-12-10-24(11-13-25)19-8-9-26(21(19)27)15-17-3-5-18(22)6-4-17;2*1-15-3-6-20(23-14-15)25-11-9-24(10-12-25)19-7-8-26(21(19)27)17-5-4-16(2)18(22)13-17/h3*3-6,13-14,20H,7-12,15H2,1-2H3;3*3-8,15,20H,9-14,16H2,1-2H3;3*2-5,12-13,19H,6-11,14H2,1H3;2-7,14,19H,8-13,15H2,1H3;2*3-6,13-14,19H,7-12H2,1-2H3
• InChIKey: HPYZECPHVXJJHJ-UHFFFAOYSA-N
• XLogP: 33.96
• TPSA: 476.16 Ų
• H-Bond Acceptors: 48
• Rotatable Bonds: 46
• Heavy Atoms: 330
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4571.45
LogP ≤ 5	33.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	48

Frequently Asked Questions

What is the IUPAC name of bis(1-[(3-chloro-4-fluorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);1-[(4-chloro-3-fluorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one;1-[(4-chlorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one;tris(1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);bis(1-(3-fluoro-4-methylphenyl)-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);tris(1-[(4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one)?

The IUPAC name of bis(1-[(3-chloro-4-fluorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);1-[(4-chloro-3-fluorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one;1-[(4-chlorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one;tris(1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);bis(1-(3-fluoro-4-methylphenyl)-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);tris(1-[(4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one) (CID 158553259) is bis(1-[(3-chloro-4-fluorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);1-[(4-chloro-3-fluorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one;1-[(4-chlorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one;tris(1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);bis(1-(3-fluoro-4-methylphenyl)-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);tris(1-[(4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one).

What is the SMILES notation for bis(1-[(3-chloro-4-fluorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);1-[(4-chloro-3-fluorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one;1-[(4-chlorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one;tris(1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);bis(1-(3-fluoro-4-methylphenyl)-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);tris(1-[(4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one)?

The canonical SMILES for bis(1-[(3-chloro-4-fluorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);1-[(4-chloro-3-fluorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one;1-[(4-chlorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one;tris(1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);bis(1-(3-fluoro-4-methylphenyl)-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);tris(1-[(4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one) is Cc1ccc(CN2CCC(N3CCN(c4ccc(C)cn4)CC3)C2=O)cc1.Cc1ccc(CN2CCC(N3CCN(c4ccc(C)cn4)CC3)C2=O)cc1.Cc1ccc(CN2CCC(N3CCN(c4ccc(C)cn4)CC3)C2=O)cc1.Cc1ccc(N2CCN(C3CCN(Cc4ccc(C)c(F)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCN(Cc4ccc(C)c(F)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCN(Cc4ccc(C)c(F)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCN(Cc4ccc(Cl)c(F)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCN(Cc4ccc(Cl)cc4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCN(Cc4ccc(F)c(Cl)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCN(Cc4ccc(F)c(Cl)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCN(c4ccc(C)c(F)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCN(c4ccc(C)c(F)c4)C3=O)CC2)nc1.

What is the InChIKey of bis(1-[(3-chloro-4-fluorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);1-[(4-chloro-3-fluorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one;1-[(4-chlorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one;tris(1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);bis(1-(3-fluoro-4-methylphenyl)-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);tris(1-[(4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one)?

The InChIKey is HPYZECPHVXJJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C22H27FN4O.3C22H28N4O.3C21H24ClFN4O.C21H25ClN4O.2C21H25FN4O/c3*1-16-3-6-21(24-14-16)26-11-9-25(10-12-26)20-7-8-27(22(20)28)15-18-5-4-17(2)19(23)13-18;3*1-17-3-6-19(7-4-17)16-26-10-9-20(22(26)27)24-11-13-25(14-12-24)21-8-5-18(2)15-23-21;2*1-15-2-5-20(24-13-15)26-10-8-25(9-11-26)19-6-7-27(21(19)28)14-16-3-4-18(23)17(22)12-16;1-15-2-5-20(24-13-15)26-10-8-25(9-11-26)19-6-7-27(21(19)28)14-16-3-4-17(22)18(23)12-16;1-16-2-7-20(23-14-16)25-12-10-24(11-13-25)19-8-9-26(21(19)27)15-17-3-5-18(22)6-4-17;2*1-15-3-6-20(23-14-15)25-11-9-24(10-12-25)19-7-8-26(21(19)27)17-5-4-16(2)18(22)13-17/h3*3-6,13-14,20H,7-12,15H2,1-2H3;3*3-8,15,20H,9-14,16H2,1-2H3;3*2-5,12-13,19H,6-11,14H2,1H3;2-7,14,19H,8-13,15H2,1H3;2*3-6,13-14,19H,7-12H2,1-2H3.

What are the key properties of bis(1-[(3-chloro-4-fluorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);1-[(4-chloro-3-fluorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one;1-[(4-chlorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one;tris(1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);bis(1-(3-fluoro-4-methylphenyl)-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);tris(1-[(4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one)?

bis(1-[(3-chloro-4-fluorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);1-[(4-chloro-3-fluorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one;1-[(4-chlorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one;tris(1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);bis(1-(3-fluoro-4-methylphenyl)-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);tris(1-[(4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one) has a molecular weight of 4571.45 g/mol, XLogP of 33.96, 46 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-[(3-chloro-4-fluorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);1-[(4-chloro-3-fluorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one;1-[(4-chlorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one;tris(1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);bis(1-(3-fluoro-4-methylphenyl)-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);tris(1-[(4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one) is sourced from PubChem (CID 158553259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).