6-[4-[[1-(2-amino-3,3,3-trifluoro-2-phenylpropanoyl)piperidin-4-yl]methyl]piperidin-1-yl]-2-chloro-N,N-dimethylpyridine-3-carboxamide;2-chloro-6-[4-[[1-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;2-chloro-6-[4-[[1-(2-cyclopropyl-2-hydroxy-2-phenylacetyl)piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;2-chloro-6-[4-[[1-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide

C119H151Cl6F6N17O11 — CID 158423862

About 6-[4-[[1-(2-amino-3,3,3-trifluoro-2-phenylpropanoyl)piperidin-4-yl]methyl]piperidin-1-yl]-2-chloro-N,N-dimethylpyridine-3-carboxamide;2-chloro-6-[4-[[1-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;2-chloro-6-[4-[[1-(2-cyclopropyl-2-hydroxy-2-phenylacetyl)piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;2-chloro-6-[4-[[1-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide

6-[4-[[1-(2-amino-3,3,3-trifluoro-2-phenylpropanoyl)piperidin-4-yl]methyl]piperidin-1-yl]-2-chloro-N,N-dimethylpyridine-3-carboxamide;2-chloro-6-[4-[[1-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;2-chloro-6-[4-[[1-(2-cyclopropyl-2-hydroxy-2-phenylacetyl)piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;2-chloro-6-[4-[[1-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 158423862) has the molecular formula C119H151Cl6F6N17O11 and a molecular weight of 2322.33 g/mol. Its IUPAC name is 6-[4-[[1-(2-amino-3,3,3-trifluoro-2-phenylpropanoyl)piperidin-4-yl]methyl]piperidin-1-yl]-2-chloro-N,N-dimethylpyridine-3-carboxamide;2-chloro-6-[4-[[1-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;2-chloro-6-[4-[[1-(2-cyclopropyl-2-hydroxy-2-phenylacetyl)piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;2-chloro-6-[4-[[1-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[4-[[1-(2-amino-3,3,3-trifluoro-2-phenylpropanoyl)piperidin-4-yl]methyl]piperidin-1-yl]-2-chloro-N,N-dimethylpyridine-3-carboxamide;2-chloro-6-[4-[[1-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;2-chloro-6-[4-[[1-(2-cyclopropyl-2-hydroxy-2-phenylacetyl)piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;2-chloro-6-[4-[[1-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
• PubChem CID: 158423862
• Molecular Formula: C119H151Cl6F6N17O11
• Molecular Weight: 2322.33 g/mol
• Exact Mass: 2317.98
• IUPAC Name: 6-[4-[[1-(2-amino-3,3,3-trifluoro-2-phenylpropanoyl)piperidin-4-yl]methyl]piperidin-1-yl]-2-chloro-N,N-dimethylpyridine-3-carboxamide;2-chloro-6-[4-[[1-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;2-chloro-6-[4-[[1-(2-cyclopropyl-2-hydroxy-2-phenylacetyl)piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;2-chloro-6-[4-[[1-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
• SMILES: CN(C)C(=O)c1ccc(N2CCC(CC3CCN(C(=O)C(N)(c4ccccc4)C(F)(F)F)CC3)CC2)nc1Cl.CN(C)C(=O)c1ccc(N2CCC(CC3CCN(C(=O)C(O)(c4ccccc4)C4CC4)CC3)CC2)nc1Cl.CN(C)C(=O)c1ccc(N2CCC(CC3CCN(C(=O)C(O)(c4ccccc4)C4CCCCC4)CC3)CC2)nc1Cl.CN(C)C(=O)c1ccc(N2CCC(CC3CCN(C(=O)[C@](O)(c4cc(Cl)cc(Cl)c4)C(F)(F)F)CC3)CC2)nc1Cl
• InChI: InChI=1S/C33H45ClN4O3.C30H39ClN4O3.C28H32Cl3F3N4O3.C28H35ClF3N5O2/c1-36(2)31(39)28-13-14-29(35-30(28)34)37-19-15-24(16-20-37)23-25-17-21-38(22-18-25)32(40)33(41,26-9-5-3-6-10-26)27-11-7-4-8-12-27;1-33(2)28(36)25-10-11-26(32-27(25)31)34-16-12-21(13-17-34)20-22-14-18-35(19-15-22)29(37)30(38,24-8-9-24)23-6-4-3-5-7-23;1-36(2)25(39)22-3-4-23(35-24(22)31)37-9-5-17(6-10-37)13-18-7-11-38(12-8-18)26(40)27(41,28(32,33)34)19-14-20(29)16-21(30)15-19;1-35(2)25(38)22-8-9-23(34-24(22)29)36-14-10-19(11-15-36)18-20-12-16-37(17-13-20)26(39)27(33,28(30,31)32)21-6-4-3-5-7-21/h3,5-6,9-10,13-14,24-25,27,41H,4,7-8,11-12,15-23H2,1-2H3;3-7,10-11,21-22,24,38H,8-9,12-20H2,1-2H3;3-4,14-18,41H,5-13H2,1-2H3;3-9,19-20H,10-18,33H2,1-2H3/t;;27-;/m..1./s1
• InChIKey: HAUSTXBGNWZQET-UAMMKLNDSA-N
• XLogP: 21.07
• TPSA: 313.71 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 26
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2322.33
LogP ≤ 5	21.07
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[1-(2-amino-3,3,3-trifluoro-2-phenylpropanoyl)piperidin-4-yl]methyl]piperidin-1-yl]-2-chloro-N,N-dimethylpyridine-3-carboxamide;2-chloro-6-[4-[[1-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;2-chloro-6-[4-[[1-(2-cyclopropyl-2-hydroxy-2-phenylacetyl)piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;2-chloro-6-[4-[[1-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?

The IUPAC name of 6-[4-[[1-(2-amino-3,3,3-trifluoro-2-phenylpropanoyl)piperidin-4-yl]methyl]piperidin-1-yl]-2-chloro-N,N-dimethylpyridine-3-carboxamide;2-chloro-6-[4-[[1-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;2-chloro-6-[4-[[1-(2-cyclopropyl-2-hydroxy-2-phenylacetyl)piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;2-chloro-6-[4-[[1-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide (CID 158423862) is 6-[4-[[1-(2-amino-3,3,3-trifluoro-2-phenylpropanoyl)piperidin-4-yl]methyl]piperidin-1-yl]-2-chloro-N,N-dimethylpyridine-3-carboxamide;2-chloro-6-[4-[[1-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;2-chloro-6-[4-[[1-(2-cyclopropyl-2-hydroxy-2-phenylacetyl)piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;2-chloro-6-[4-[[1-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide.

What is the SMILES notation for 6-[4-[[1-(2-amino-3,3,3-trifluoro-2-phenylpropanoyl)piperidin-4-yl]methyl]piperidin-1-yl]-2-chloro-N,N-dimethylpyridine-3-carboxamide;2-chloro-6-[4-[[1-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;2-chloro-6-[4-[[1-(2-cyclopropyl-2-hydroxy-2-phenylacetyl)piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;2-chloro-6-[4-[[1-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?

The canonical SMILES for 6-[4-[[1-(2-amino-3,3,3-trifluoro-2-phenylpropanoyl)piperidin-4-yl]methyl]piperidin-1-yl]-2-chloro-N,N-dimethylpyridine-3-carboxamide;2-chloro-6-[4-[[1-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;2-chloro-6-[4-[[1-(2-cyclopropyl-2-hydroxy-2-phenylacetyl)piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;2-chloro-6-[4-[[1-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1ccc(N2CCC(CC3CCN(C(=O)C(N)(c4ccccc4)C(F)(F)F)CC3)CC2)nc1Cl.CN(C)C(=O)c1ccc(N2CCC(CC3CCN(C(=O)C(O)(c4ccccc4)C4CC4)CC3)CC2)nc1Cl.CN(C)C(=O)c1ccc(N2CCC(CC3CCN(C(=O)C(O)(c4ccccc4)C4CCCCC4)CC3)CC2)nc1Cl.CN(C)C(=O)c1ccc(N2CCC(CC3CCN(C(=O)[C@](O)(c4cc(Cl)cc(Cl)c4)C(F)(F)F)CC3)CC2)nc1Cl.

What is the InChIKey of 6-[4-[[1-(2-amino-3,3,3-trifluoro-2-phenylpropanoyl)piperidin-4-yl]methyl]piperidin-1-yl]-2-chloro-N,N-dimethylpyridine-3-carboxamide;2-chloro-6-[4-[[1-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;2-chloro-6-[4-[[1-(2-cyclopropyl-2-hydroxy-2-phenylacetyl)piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;2-chloro-6-[4-[[1-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?

The InChIKey is HAUSTXBGNWZQET-UAMMKLNDSA-N. The full InChI is InChI=1S/C33H45ClN4O3.C30H39ClN4O3.C28H32Cl3F3N4O3.C28H35ClF3N5O2/c1-36(2)31(39)28-13-14-29(35-30(28)34)37-19-15-24(16-20-37)23-25-17-21-38(22-18-25)32(40)33(41,26-9-5-3-6-10-26)27-11-7-4-8-12-27;1-33(2)28(36)25-10-11-26(32-27(25)31)34-16-12-21(13-17-34)20-22-14-18-35(19-15-22)29(37)30(38,24-8-9-24)23-6-4-3-5-7-23;1-36(2)25(39)22-3-4-23(35-24(22)31)37-9-5-17(6-10-37)13-18-7-11-38(12-8-18)26(40)27(41,28(32,33)34)19-14-20(29)16-21(30)15-19;1-35(2)25(38)22-8-9-23(34-24(22)29)36-14-10-19(11-15-36)18-20-12-16-37(17-13-20)26(39)27(33,28(30,31)32)21-6-4-3-5-7-21/h3,5-6,9-10,13-14,24-25,27,41H,4,7-8,11-12,15-23H2,1-2H3;3-7,10-11,21-22,24,38H,8-9,12-20H2,1-2H3;3-4,14-18,41H,5-13H2,1-2H3;3-9,19-20H,10-18,33H2,1-2H3/t;;27-;/m..1./s1.

What are the key properties of 6-[4-[[1-(2-amino-3,3,3-trifluoro-2-phenylpropanoyl)piperidin-4-yl]methyl]piperidin-1-yl]-2-chloro-N,N-dimethylpyridine-3-carboxamide;2-chloro-6-[4-[[1-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;2-chloro-6-[4-[[1-(2-cyclopropyl-2-hydroxy-2-phenylacetyl)piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;2-chloro-6-[4-[[1-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?

6-[4-[[1-(2-amino-3,3,3-trifluoro-2-phenylpropanoyl)piperidin-4-yl]methyl]piperidin-1-yl]-2-chloro-N,N-dimethylpyridine-3-carboxamide;2-chloro-6-[4-[[1-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;2-chloro-6-[4-[[1-(2-cyclopropyl-2-hydroxy-2-phenylacetyl)piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;2-chloro-6-[4-[[1-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 2322.33 g/mol, XLogP of 21.07, 26 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[[1-(2-amino-3,3,3-trifluoro-2-phenylpropanoyl)piperidin-4-yl]methyl]piperidin-1-yl]-2-chloro-N,N-dimethylpyridine-3-carboxamide;2-chloro-6-[4-[[1-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;2-chloro-6-[4-[[1-(2-cyclopropyl-2-hydroxy-2-phenylacetyl)piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;2-chloro-6-[4-[[1-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 158423862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).