2-chloro-6-[4-[1-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]sulfanylpiperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;2-chloro-N,N-dimethyl-4-[4-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]piperidin-4-yl]sulfanylpiperidin-1-yl]benzamide;2-chloro-N-methyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-(3-fluoro-5-methoxyphenyl)-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide;(2R)-1-[4-[1-(6-chloro-5-propanoyl-2-pyridinyl)piperidin-4-yl]sulfanylpiperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propan-1-one

C112H131Cl6F13N14O15S3 — CID 157305982

About 2-chloro-6-[4-[1-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]sulfanylpiperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;2-chloro-N,N-dimethyl-4-[4-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]piperidin-4-yl]sulfanylpiperidin-1-yl]benzamide;2-chloro-N-methyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-(3-fluoro-5-methoxyphenyl)-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide;(2R)-1-[4-[1-(6-chloro-5-propanoyl-2-pyridinyl)piperidin-4-yl]sulfanylpiperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propan-1-one

2-chloro-6-[4-[1-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]sulfanylpiperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;2-chloro-N,N-dimethyl-4-[4-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]piperidin-4-yl]sulfanylpiperidin-1-yl]benzamide;2-chloro-N-methyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-(3-fluoro-5-methoxyphenyl)-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide;(2R)-1-[4-[1-(6-chloro-5-propanoyl-2-pyridinyl)piperidin-4-yl]sulfanylpiperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propan-1-one (PubChem CID 157305982) has the molecular formula C112H131Cl6F13N14O15S3 and a molecular weight of 2469.26 g/mol. Its IUPAC name is 2-chloro-6-[4-[1-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]sulfanylpiperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;2-chloro-N,N-dimethyl-4-[4-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]piperidin-4-yl]sulfanylpiperidin-1-yl]benzamide;2-chloro-N-methyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-(3-fluoro-5-methoxyphenyl)-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide;(2R)-1-[4-[1-(6-chloro-5-propanoyl-2-pyridinyl)piperidin-4-yl]sulfanylpiperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propan-1-one.

Molecular Properties

• Compound Name: 2-chloro-6-[4-[1-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]sulfanylpiperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;2-chloro-N,N-dimethyl-4-[4-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]piperidin-4-yl]sulfanylpiperidin-1-yl]benzamide;2-chloro-N-methyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-(3-fluoro-5-methoxyphenyl)-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide;(2R)-1-[4-[1-(6-chloro-5-propanoyl-2-pyridinyl)piperidin-4-yl]sulfanylpiperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propan-1-one
• PubChem CID: 157305982
• Molecular Formula: C112H131Cl6F13N14O15S3
• Molecular Weight: 2469.26 g/mol
• Exact Mass: 2464.70
• IUPAC Name: 2-chloro-6-[4-[1-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]sulfanylpiperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;2-chloro-N,N-dimethyl-4-[4-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]piperidin-4-yl]sulfanylpiperidin-1-yl]benzamide;2-chloro-N-methyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-(3-fluoro-5-methoxyphenyl)-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide;(2R)-1-[4-[1-(6-chloro-5-propanoyl-2-pyridinyl)piperidin-4-yl]sulfanylpiperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propan-1-one
• SMILES: CCC(=O)c1ccc(N2CCC(SC3CCN(C(=O)[C@](O)(c4cccc(OC)c4)C(F)(F)F)CC3)CC2)nc1Cl.CN(C)C(=O)c1ccc(N2CCC(SC3CCN(C(=O)[C@](O)(c4cc(Cl)cc(Cl)c4)C(F)(F)F)CC3)CC2)nc1Cl.CNC(=O)c1ccc(N2CCC(CC3CCN(C(=O)[C@](O)(c4cc(F)cc(OC)c4)C(F)(F)F)CC3)CC2)nc1Cl.COc1cccc([C@@](O)(C(=O)N2CCC(SC3CCN(c4ccc(C(=O)N(C)C)c(Cl)c4)CC3)CC2)C(F)(F)F)c1
• InChI: InChI=1S/C29H35ClF3N3O4S.C28H33ClF4N4O4.C28H33ClF3N3O4S.C27H30Cl3F3N4O3S/c1-34(2)26(37)24-8-7-20(18-25(24)30)35-13-9-22(10-14-35)41-23-11-15-36(16-12-23)27(38)28(39,29(31,32)33)19-5-4-6-21(17-19)40-3;1-34-25(38)22-3-4-23(35-24(22)29)36-9-5-17(6-10-36)13-18-7-11-37(12-8-18)26(39)27(40,28(31,32)33)19-14-20(30)16-21(15-19)41-2;1-3-23(36)22-7-8-24(33-25(22)29)34-13-9-20(10-14-34)40-21-11-15-35(16-12-21)26(37)27(38,28(30,31)32)18-5-4-6-19(17-18)39-2;1-35(2)24(38)21-3-4-22(34-23(21)30)36-9-5-19(6-10-36)41-20-7-11-37(12-8-20)25(39)26(40,27(31,32)33)16-13-17(28)15-18(29)14-16/h4-8,17-18,22-23,39H,9-16H2,1-3H3;3-4,14-18,40H,5-13H2,1-2H3,(H,34,38);4-8,17,20-21,38H,3,9-16H2,1-2H3;3-4,13-15,19-20,40H,5-12H2,1-2H3/t28-;2*27-;26-/m1111/s1
• InChIKey: BCLZGDXZMYTMIU-MJGKMAKFSA-N
• XLogP: 21.10
• TPSA: 328.27 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 28
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2469.26
LogP ≤ 5	21.10
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[4-[1-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]sulfanylpiperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;2-chloro-N,N-dimethyl-4-[4-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]piperidin-4-yl]sulfanylpiperidin-1-yl]benzamide;2-chloro-N-methyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-(3-fluoro-5-methoxyphenyl)-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide;(2R)-1-[4-[1-(6-chloro-5-propanoyl-2-pyridinyl)piperidin-4-yl]sulfanylpiperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propan-1-one?

The IUPAC name of 2-chloro-6-[4-[1-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]sulfanylpiperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;2-chloro-N,N-dimethyl-4-[4-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]piperidin-4-yl]sulfanylpiperidin-1-yl]benzamide;2-chloro-N-methyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-(3-fluoro-5-methoxyphenyl)-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide;(2R)-1-[4-[1-(6-chloro-5-propanoyl-2-pyridinyl)piperidin-4-yl]sulfanylpiperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propan-1-one (CID 157305982) is 2-chloro-6-[4-[1-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]sulfanylpiperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;2-chloro-N,N-dimethyl-4-[4-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]piperidin-4-yl]sulfanylpiperidin-1-yl]benzamide;2-chloro-N-methyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-(3-fluoro-5-methoxyphenyl)-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide;(2R)-1-[4-[1-(6-chloro-5-propanoyl-2-pyridinyl)piperidin-4-yl]sulfanylpiperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propan-1-one.

What is the SMILES notation for 2-chloro-6-[4-[1-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]sulfanylpiperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;2-chloro-N,N-dimethyl-4-[4-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]piperidin-4-yl]sulfanylpiperidin-1-yl]benzamide;2-chloro-N-methyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-(3-fluoro-5-methoxyphenyl)-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide;(2R)-1-[4-[1-(6-chloro-5-propanoyl-2-pyridinyl)piperidin-4-yl]sulfanylpiperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propan-1-one?

The canonical SMILES for 2-chloro-6-[4-[1-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]sulfanylpiperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;2-chloro-N,N-dimethyl-4-[4-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]piperidin-4-yl]sulfanylpiperidin-1-yl]benzamide;2-chloro-N-methyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-(3-fluoro-5-methoxyphenyl)-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide;(2R)-1-[4-[1-(6-chloro-5-propanoyl-2-pyridinyl)piperidin-4-yl]sulfanylpiperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propan-1-one is CCC(=O)c1ccc(N2CCC(SC3CCN(C(=O)[C@](O)(c4cccc(OC)c4)C(F)(F)F)CC3)CC2)nc1Cl.CN(C)C(=O)c1ccc(N2CCC(SC3CCN(C(=O)[C@](O)(c4cc(Cl)cc(Cl)c4)C(F)(F)F)CC3)CC2)nc1Cl.CNC(=O)c1ccc(N2CCC(CC3CCN(C(=O)[C@](O)(c4cc(F)cc(OC)c4)C(F)(F)F)CC3)CC2)nc1Cl.COc1cccc([C@@](O)(C(=O)N2CCC(SC3CCN(c4ccc(C(=O)N(C)C)c(Cl)c4)CC3)CC2)C(F)(F)F)c1.

What is the InChIKey of 2-chloro-6-[4-[1-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]sulfanylpiperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;2-chloro-N,N-dimethyl-4-[4-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]piperidin-4-yl]sulfanylpiperidin-1-yl]benzamide;2-chloro-N-methyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-(3-fluoro-5-methoxyphenyl)-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide;(2R)-1-[4-[1-(6-chloro-5-propanoyl-2-pyridinyl)piperidin-4-yl]sulfanylpiperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propan-1-one?

The InChIKey is BCLZGDXZMYTMIU-MJGKMAKFSA-N. The full InChI is InChI=1S/C29H35ClF3N3O4S.C28H33ClF4N4O4.C28H33ClF3N3O4S.C27H30Cl3F3N4O3S/c1-34(2)26(37)24-8-7-20(18-25(24)30)35-13-9-22(10-14-35)41-23-11-15-36(16-12-23)27(38)28(39,29(31,32)33)19-5-4-6-21(17-19)40-3;1-34-25(38)22-3-4-23(35-24(22)29)36-9-5-17(6-10-36)13-18-7-11-37(12-8-18)26(39)27(40,28(31,32)33)19-14-20(30)16-21(15-19)41-2;1-3-23(36)22-7-8-24(33-25(22)29)34-13-9-20(10-14-34)40-21-11-15-35(16-12-21)26(37)27(38,28(30,31)32)18-5-4-6-19(17-18)39-2;1-35(2)24(38)21-3-4-22(34-23(21)30)36-9-5-19(6-10-36)41-20-7-11-37(12-8-20)25(39)26(40,27(31,32)33)16-13-17(28)15-18(29)14-16/h4-8,17-18,22-23,39H,9-16H2,1-3H3;3-4,14-18,40H,5-13H2,1-2H3,(H,34,38);4-8,17,20-21,38H,3,9-16H2,1-2H3;3-4,13-15,19-20,40H,5-12H2,1-2H3/t28-;2*27-;26-/m1111/s1.

What are the key properties of 2-chloro-6-[4-[1-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]sulfanylpiperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;2-chloro-N,N-dimethyl-4-[4-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]piperidin-4-yl]sulfanylpiperidin-1-yl]benzamide;2-chloro-N-methyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-(3-fluoro-5-methoxyphenyl)-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide;(2R)-1-[4-[1-(6-chloro-5-propanoyl-2-pyridinyl)piperidin-4-yl]sulfanylpiperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propan-1-one?

2-chloro-6-[4-[1-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]sulfanylpiperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;2-chloro-N,N-dimethyl-4-[4-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]piperidin-4-yl]sulfanylpiperidin-1-yl]benzamide;2-chloro-N-methyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-(3-fluoro-5-methoxyphenyl)-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide;(2R)-1-[4-[1-(6-chloro-5-propanoyl-2-pyridinyl)piperidin-4-yl]sulfanylpiperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propan-1-one has a molecular weight of 2469.26 g/mol, XLogP of 21.10, 28 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-[4-[1-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]sulfanylpiperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;2-chloro-N,N-dimethyl-4-[4-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]piperidin-4-yl]sulfanylpiperidin-1-yl]benzamide;2-chloro-N-methyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-(3-fluoro-5-methoxyphenyl)-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide;(2R)-1-[4-[1-(6-chloro-5-propanoyl-2-pyridinyl)piperidin-4-yl]sulfanylpiperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propan-1-one is sourced from PubChem (CID 157305982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).