4-(2,4-dichlorophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(2,4-difluorophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide;4-(3,4-difluorophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(3,5-difluorophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(5-fluoro-2-pyridinyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(4-isocyanophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide

C103H110Cl2F7N25O6 — CID 159848698

About 4-(2,4-dichlorophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(2,4-difluorophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide;4-(3,4-difluorophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(3,5-difluorophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(5-fluoro-2-pyridinyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(4-isocyanophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide

4-(2,4-dichlorophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(2,4-difluorophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide;4-(3,4-difluorophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(3,5-difluorophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(5-fluoro-2-pyridinyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(4-isocyanophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide (PubChem CID 159848698) has the molecular formula C103H110Cl2F7N25O6 and a molecular weight of 1998.07 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(2,4-difluorophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide;4-(3,4-difluorophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(3,5-difluorophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(5-fluoro-2-pyridinyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(4-isocyanophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

• Compound Name: 4-(2,4-dichlorophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(2,4-difluorophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide;4-(3,4-difluorophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(3,5-difluorophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(5-fluoro-2-pyridinyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(4-isocyanophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide
• PubChem CID: 159848698
• Molecular Formula: C103H110Cl2F7N25O6
• Molecular Weight: 1998.07 g/mol
• Exact Mass: 1995.83
• IUPAC Name: 4-(2,4-dichlorophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(2,4-difluorophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide;4-(3,4-difluorophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(3,5-difluorophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(5-fluoro-2-pyridinyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(4-isocyanophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide
• SMILES: Cc1ccc(NC(=O)N2CCN(c3cc(F)cc(F)c3)CC2)nc1.Cc1ccc(NC(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)nc1.Cc1ccc(NC(=O)N2CCN(c3ccc(F)c(F)c3)CC2)nc1.Cc1ccc(NC(=O)N2CCN(c3ccc(F)cc3F)CC2)cc1.Cc1ccc(NC(=O)N2CCN(c3ccc(F)cn3)CC2)nc1.[C-]#[N+]c1ccc(N2CCN(C(=O)Nc3ccc(C)cn3)CC2)cc1
• InChI: InChI=1S/C18H19F2N3O.C18H19N5O.C17H18Cl2N4O.2C17H18F2N4O.C16H18FN5O/c1-13-2-5-15(6-3-13)21-18(24)23-10-8-22(9-11-23)17-7-4-14(19)12-16(17)20;1-14-3-8-17(20-13-14)21-18(24)23-11-9-22(10-12-23)16-6-4-15(19-2)5-7-16;1-12-2-5-16(20-11-12)21-17(24)23-8-6-22(7-9-23)15-4-3-13(18)10-14(15)19;1-12-2-5-16(20-11-12)21-17(24)23-8-6-22(7-9-23)13-3-4-14(18)15(19)10-13;1-12-2-3-16(20-11-12)21-17(24)23-6-4-22(5-7-23)15-9-13(18)8-14(19)10-15;1-12-2-4-14(18-10-12)20-16(23)22-8-6-21(7-9-22)15-5-3-13(17)11-19-15/h2-7,12H,8-11H2,1H3,(H,21,24);3-8,13H,9-12H2,1H3,(H,20,21,24);2*2-5,10-11H,6-9H2,1H3,(H,20,21,24);2-3,8-11H,4-7H2,1H3,(H,20,21,24);2-5,10-11H,6-9H2,1H3,(H,18,20,23)
• InChIKey: NPQKFKAOSMOPJG-UHFFFAOYSA-N
• XLogP: 19.30
• TPSA: 295.18 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1998.07
LogP ≤ 5	19.30
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(2,4-difluorophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide;4-(3,4-difluorophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(3,5-difluorophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(5-fluoro-2-pyridinyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(4-isocyanophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide?

The IUPAC name of 4-(2,4-dichlorophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(2,4-difluorophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide;4-(3,4-difluorophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(3,5-difluorophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(5-fluoro-2-pyridinyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(4-isocyanophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide (CID 159848698) is 4-(2,4-dichlorophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(2,4-difluorophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide;4-(3,4-difluorophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(3,5-difluorophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(5-fluoro-2-pyridinyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(4-isocyanophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide.

What is the SMILES notation for 4-(2,4-dichlorophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(2,4-difluorophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide;4-(3,4-difluorophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(3,5-difluorophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(5-fluoro-2-pyridinyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(4-isocyanophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide?

The canonical SMILES for 4-(2,4-dichlorophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(2,4-difluorophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide;4-(3,4-difluorophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(3,5-difluorophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(5-fluoro-2-pyridinyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(4-isocyanophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(c3cc(F)cc(F)c3)CC2)nc1.Cc1ccc(NC(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)nc1.Cc1ccc(NC(=O)N2CCN(c3ccc(F)c(F)c3)CC2)nc1.Cc1ccc(NC(=O)N2CCN(c3ccc(F)cc3F)CC2)cc1.Cc1ccc(NC(=O)N2CCN(c3ccc(F)cn3)CC2)nc1.[C-]#[N+]c1ccc(N2CCN(C(=O)Nc3ccc(C)cn3)CC2)cc1.

What is the InChIKey of 4-(2,4-dichlorophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(2,4-difluorophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide;4-(3,4-difluorophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(3,5-difluorophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(5-fluoro-2-pyridinyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(4-isocyanophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide?

The InChIKey is NPQKFKAOSMOPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O.C18H19N5O.C17H18Cl2N4O.2C17H18F2N4O.C16H18FN5O/c1-13-2-5-15(6-3-13)21-18(24)23-10-8-22(9-11-23)17-7-4-14(19)12-16(17)20;1-14-3-8-17(20-13-14)21-18(24)23-11-9-22(10-12-23)16-6-4-15(19-2)5-7-16;1-12-2-5-16(20-11-12)21-17(24)23-8-6-22(7-9-23)15-4-3-13(18)10-14(15)19;1-12-2-5-16(20-11-12)21-17(24)23-8-6-22(7-9-23)13-3-4-14(18)15(19)10-13;1-12-2-3-16(20-11-12)21-17(24)23-6-4-22(5-7-23)15-9-13(18)8-14(19)10-15;1-12-2-4-14(18-10-12)20-16(23)22-8-6-21(7-9-22)15-5-3-13(17)11-19-15/h2-7,12H,8-11H2,1H3,(H,21,24);3-8,13H,9-12H2,1H3,(H,20,21,24);2*2-5,10-11H,6-9H2,1H3,(H,20,21,24);2-3,8-11H,4-7H2,1H3,(H,20,21,24);2-5,10-11H,6-9H2,1H3,(H,18,20,23).

What are the key properties of 4-(2,4-dichlorophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(2,4-difluorophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide;4-(3,4-difluorophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(3,5-difluorophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(5-fluoro-2-pyridinyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(4-isocyanophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide?

4-(2,4-dichlorophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(2,4-difluorophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide;4-(3,4-difluorophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(3,5-difluorophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(5-fluoro-2-pyridinyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(4-isocyanophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide has a molecular weight of 1998.07 g/mol, XLogP of 19.30, 12 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,4-dichlorophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(2,4-difluorophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide;4-(3,4-difluorophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(3,5-difluorophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(5-fluoro-2-pyridinyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(4-isocyanophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 159848698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).