(2R)-N-[4-bromo-3-(trifluoromethyl)phenyl]-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carbothioamide;N-(4-tert-butylphenyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C117H127BrCl5F17N24O5S — CID 160529710

About (2R)-N-[4-bromo-3-(trifluoromethyl)phenyl]-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carbothioamide;N-(4-tert-butylphenyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

(2R)-N-[4-bromo-3-(trifluoromethyl)phenyl]-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carbothioamide;N-(4-tert-butylphenyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 160529710) has the molecular formula C117H127BrCl5F17N24O5S and a molecular weight of 2561.67 g/mol. Its IUPAC name is (2R)-N-[4-bromo-3-(trifluoromethyl)phenyl]-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carbothioamide;N-(4-tert-butylphenyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-[4-bromo-3-(trifluoromethyl)phenyl]-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carbothioamide;N-(4-tert-butylphenyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
• PubChem CID: 160529710
• Molecular Formula: C117H127BrCl5F17N24O5S
• Molecular Weight: 2561.67 g/mol
• Exact Mass: 2556.75
• IUPAC Name: (2R)-N-[4-bromo-3-(trifluoromethyl)phenyl]-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carbothioamide;N-(4-tert-butylphenyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
• SMILES: CCCCc1ccc(NC(=S)N2CCN(c3ncccc3Cl)C[C@H]2C)cc1.C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1ccc(Br)c(C(F)(F)F)c1.C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1.C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1ccc(F)c(C(F)(F)F)c1.Cc1ccc(NC(=O)N2CCN(c3ncccc3Cl)C[C@H]2C)cc1C(F)(F)F.Cc1cccnc1N1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)CC1
• InChI: InChI=1S/C21H27ClN4S.C21H28N4O.C20H18ClF7N4O.C19H20ClF3N4O.C18H17BrClF3N4O.C18H17ClF4N4O/c1-3-4-6-17-8-10-18(11-9-17)24-21(27)26-14-13-25(15-16(26)2)20-19(22)7-5-12-23-20;1-16-6-5-11-22-19(16)24-12-14-25(15-13-24)20(26)23-18-9-7-17(8-10-18)21(2,3)4;1-12-11-31(16-15(21)3-2-8-29-16)9-10-32(12)17(33)30-14-6-4-13(5-7-14)18(22,19(23,24)25)20(26,27)28;1-12-5-6-14(10-15(12)19(21,22)23)25-18(28)27-9-8-26(11-13(27)2)17-16(20)4-3-7-24-17;1-11-10-26(16-15(20)3-2-6-24-16)7-8-27(11)17(28)25-12-4-5-14(19)13(9-12)18(21,22)23;1-11-10-26(16-14(19)3-2-6-24-16)7-8-27(11)17(28)25-12-4-5-15(20)13(9-12)18(21,22)23/h5,7-12,16H,3-4,6,13-15H2,1-2H3,(H,24,27);5-11H,12-15H2,1-4H3,(H,23,26);2-8,12H,9-11H2,1H3,(H,30,33);3-7,10,13H,8-9,11H2,1-2H3,(H,25,28);2*2-6,9,11H,7-8,10H2,1H3,(H,25,28)/t16-;;12-;13-;2*11-/m1.1111/s1
• InChIKey: QVJMIZXUSISJAU-NIUVPMMUSA-N
• XLogP: 29.49
• TPSA: 273.75 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2561.67
LogP ≤ 5	29.49
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-bromo-3-(trifluoromethyl)phenyl]-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carbothioamide;N-(4-tert-butylphenyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?

The IUPAC name of (2R)-N-[4-bromo-3-(trifluoromethyl)phenyl]-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carbothioamide;N-(4-tert-butylphenyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 160529710) is (2R)-N-[4-bromo-3-(trifluoromethyl)phenyl]-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carbothioamide;N-(4-tert-butylphenyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

What is the SMILES notation for (2R)-N-[4-bromo-3-(trifluoromethyl)phenyl]-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carbothioamide;N-(4-tert-butylphenyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?

The canonical SMILES for (2R)-N-[4-bromo-3-(trifluoromethyl)phenyl]-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carbothioamide;N-(4-tert-butylphenyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is CCCCc1ccc(NC(=S)N2CCN(c3ncccc3Cl)C[C@H]2C)cc1.C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1ccc(Br)c(C(F)(F)F)c1.C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1.C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1ccc(F)c(C(F)(F)F)c1.Cc1ccc(NC(=O)N2CCN(c3ncccc3Cl)C[C@H]2C)cc1C(F)(F)F.Cc1cccnc1N1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)CC1.

What is the InChIKey of (2R)-N-[4-bromo-3-(trifluoromethyl)phenyl]-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carbothioamide;N-(4-tert-butylphenyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?

The InChIKey is QVJMIZXUSISJAU-NIUVPMMUSA-N. The full InChI is InChI=1S/C21H27ClN4S.C21H28N4O.C20H18ClF7N4O.C19H20ClF3N4O.C18H17BrClF3N4O.C18H17ClF4N4O/c1-3-4-6-17-8-10-18(11-9-17)24-21(27)26-14-13-25(15-16(26)2)20-19(22)7-5-12-23-20;1-16-6-5-11-22-19(16)24-12-14-25(15-13-24)20(26)23-18-9-7-17(8-10-18)21(2,3)4;1-12-11-31(16-15(21)3-2-8-29-16)9-10-32(12)17(33)30-14-6-4-13(5-7-14)18(22,19(23,24)25)20(26,27)28;1-12-5-6-14(10-15(12)19(21,22)23)25-18(28)27-9-8-26(11-13(27)2)17-16(20)4-3-7-24-17;1-11-10-26(16-15(20)3-2-6-24-16)7-8-27(11)17(28)25-12-4-5-14(19)13(9-12)18(21,22)23;1-11-10-26(16-14(19)3-2-6-24-16)7-8-27(11)17(28)25-12-4-5-15(20)13(9-12)18(21,22)23/h5,7-12,16H,3-4,6,13-15H2,1-2H3,(H,24,27);5-11H,12-15H2,1-4H3,(H,23,26);2-8,12H,9-11H2,1H3,(H,30,33);3-7,10,13H,8-9,11H2,1-2H3,(H,25,28);2*2-6,9,11H,7-8,10H2,1H3,(H,25,28)/t16-;;12-;13-;2*11-/m1.1111/s1.

What are the key properties of (2R)-N-[4-bromo-3-(trifluoromethyl)phenyl]-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carbothioamide;N-(4-tert-butylphenyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?

(2R)-N-[4-bromo-3-(trifluoromethyl)phenyl]-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carbothioamide;N-(4-tert-butylphenyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 2561.67 g/mol, XLogP of 29.49, 16 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[4-bromo-3-(trifluoromethyl)phenyl]-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carbothioamide;N-(4-tert-butylphenyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 160529710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).