4-[2-[4-(4-chlorophenyl)piperidin-1-yl]-1-hydroxyethyl]-N-(3,4-dichlorophenyl)-4-hydroxypiperidine-1-carboxamide;4-[2-[4-(4-chlorophenyl)piperidin-1-yl]-1-hydroxyethyl]-4-hydroxy-N-(2,3,5-trifluorophenyl)piperidine-1-carbothioamide

C50H59Cl4F3N6O5S — CID 160668137

About 4-[2-[4-(4-chlorophenyl)piperidin-1-yl]-1-hydroxyethyl]-N-(3,4-dichlorophenyl)-4-hydroxypiperidine-1-carboxamide;4-[2-[4-(4-chlorophenyl)piperidin-1-yl]-1-hydroxyethyl]-4-hydroxy-N-(2,3,5-trifluorophenyl)piperidine-1-carbothioamide

4-[2-[4-(4-chlorophenyl)piperidin-1-yl]-1-hydroxyethyl]-N-(3,4-dichlorophenyl)-4-hydroxypiperidine-1-carboxamide;4-[2-[4-(4-chlorophenyl)piperidin-1-yl]-1-hydroxyethyl]-4-hydroxy-N-(2,3,5-trifluorophenyl)piperidine-1-carbothioamide (PubChem CID 160668137) has the molecular formula C50H59Cl4F3N6O5S and a molecular weight of 1054.93 g/mol. Its IUPAC name is 4-[2-[4-(4-chlorophenyl)piperidin-1-yl]-1-hydroxyethyl]-N-(3,4-dichlorophenyl)-4-hydroxypiperidine-1-carboxamide;4-[2-[4-(4-chlorophenyl)piperidin-1-yl]-1-hydroxyethyl]-4-hydroxy-N-(2,3,5-trifluorophenyl)piperidine-1-carbothioamide.

Molecular Properties

• Compound Name: 4-[2-[4-(4-chlorophenyl)piperidin-1-yl]-1-hydroxyethyl]-N-(3,4-dichlorophenyl)-4-hydroxypiperidine-1-carboxamide;4-[2-[4-(4-chlorophenyl)piperidin-1-yl]-1-hydroxyethyl]-4-hydroxy-N-(2,3,5-trifluorophenyl)piperidine-1-carbothioamide
• PubChem CID: 160668137
• Molecular Formula: C50H59Cl4F3N6O5S
• Molecular Weight: 1054.93 g/mol
• Exact Mass: 1052.30
• IUPAC Name: 4-[2-[4-(4-chlorophenyl)piperidin-1-yl]-1-hydroxyethyl]-N-(3,4-dichlorophenyl)-4-hydroxypiperidine-1-carboxamide;4-[2-[4-(4-chlorophenyl)piperidin-1-yl]-1-hydroxyethyl]-4-hydroxy-N-(2,3,5-trifluorophenyl)piperidine-1-carbothioamide
• SMILES: O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(O)(C(O)CN2CCC(c3ccc(Cl)cc3)CC2)CC1.OC(CN1CCC(c2ccc(Cl)cc2)CC1)C1(O)CCN(C(=S)Nc2cc(F)cc(F)c2F)CC1
• InChI: InChI=1S/C25H30Cl3N3O3.C25H29ClF3N3O2S/c26-19-3-1-17(2-4-19)18-7-11-30(12-8-18)16-23(32)25(34)9-13-31(14-10-25)24(33)29-20-5-6-21(27)22(28)15-20;26-18-3-1-16(2-4-18)17-5-9-31(10-6-17)15-22(33)25(34)7-11-32(12-8-25)24(35)30-21-14-19(27)13-20(28)23(21)29/h1-6,15,18,23,32,34H,7-14,16H2,(H,29,33);1-4,13-14,17,22,33-34H,5-12,15H2,(H,30,35)
• InChIKey: RMOSOAQDHPNHHC-UHFFFAOYSA-N
• XLogP: 9.77
• TPSA: 135.01 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1054.93
LogP ≤ 5	9.77
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-chlorophenyl)piperidin-1-yl]-1-hydroxyethyl]-N-(3,4-dichlorophenyl)-4-hydroxypiperidine-1-carboxamide;4-[2-[4-(4-chlorophenyl)piperidin-1-yl]-1-hydroxyethyl]-4-hydroxy-N-(2,3,5-trifluorophenyl)piperidine-1-carbothioamide?

The IUPAC name of 4-[2-[4-(4-chlorophenyl)piperidin-1-yl]-1-hydroxyethyl]-N-(3,4-dichlorophenyl)-4-hydroxypiperidine-1-carboxamide;4-[2-[4-(4-chlorophenyl)piperidin-1-yl]-1-hydroxyethyl]-4-hydroxy-N-(2,3,5-trifluorophenyl)piperidine-1-carbothioamide (CID 160668137) is 4-[2-[4-(4-chlorophenyl)piperidin-1-yl]-1-hydroxyethyl]-N-(3,4-dichlorophenyl)-4-hydroxypiperidine-1-carboxamide;4-[2-[4-(4-chlorophenyl)piperidin-1-yl]-1-hydroxyethyl]-4-hydroxy-N-(2,3,5-trifluorophenyl)piperidine-1-carbothioamide.

What is the SMILES notation for 4-[2-[4-(4-chlorophenyl)piperidin-1-yl]-1-hydroxyethyl]-N-(3,4-dichlorophenyl)-4-hydroxypiperidine-1-carboxamide;4-[2-[4-(4-chlorophenyl)piperidin-1-yl]-1-hydroxyethyl]-4-hydroxy-N-(2,3,5-trifluorophenyl)piperidine-1-carbothioamide?

The canonical SMILES for 4-[2-[4-(4-chlorophenyl)piperidin-1-yl]-1-hydroxyethyl]-N-(3,4-dichlorophenyl)-4-hydroxypiperidine-1-carboxamide;4-[2-[4-(4-chlorophenyl)piperidin-1-yl]-1-hydroxyethyl]-4-hydroxy-N-(2,3,5-trifluorophenyl)piperidine-1-carbothioamide is O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(O)(C(O)CN2CCC(c3ccc(Cl)cc3)CC2)CC1.OC(CN1CCC(c2ccc(Cl)cc2)CC1)C1(O)CCN(C(=S)Nc2cc(F)cc(F)c2F)CC1.

What is the InChIKey of 4-[2-[4-(4-chlorophenyl)piperidin-1-yl]-1-hydroxyethyl]-N-(3,4-dichlorophenyl)-4-hydroxypiperidine-1-carboxamide;4-[2-[4-(4-chlorophenyl)piperidin-1-yl]-1-hydroxyethyl]-4-hydroxy-N-(2,3,5-trifluorophenyl)piperidine-1-carbothioamide?

The InChIKey is RMOSOAQDHPNHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30Cl3N3O3.C25H29ClF3N3O2S/c26-19-3-1-17(2-4-19)18-7-11-30(12-8-18)16-23(32)25(34)9-13-31(14-10-25)24(33)29-20-5-6-21(27)22(28)15-20;26-18-3-1-16(2-4-18)17-5-9-31(10-6-17)15-22(33)25(34)7-11-32(12-8-25)24(35)30-21-14-19(27)13-20(28)23(21)29/h1-6,15,18,23,32,34H,7-14,16H2,(H,29,33);1-4,13-14,17,22,33-34H,5-12,15H2,(H,30,35).

What are the key properties of 4-[2-[4-(4-chlorophenyl)piperidin-1-yl]-1-hydroxyethyl]-N-(3,4-dichlorophenyl)-4-hydroxypiperidine-1-carboxamide;4-[2-[4-(4-chlorophenyl)piperidin-1-yl]-1-hydroxyethyl]-4-hydroxy-N-(2,3,5-trifluorophenyl)piperidine-1-carbothioamide?

4-[2-[4-(4-chlorophenyl)piperidin-1-yl]-1-hydroxyethyl]-N-(3,4-dichlorophenyl)-4-hydroxypiperidine-1-carboxamide;4-[2-[4-(4-chlorophenyl)piperidin-1-yl]-1-hydroxyethyl]-4-hydroxy-N-(2,3,5-trifluorophenyl)piperidine-1-carbothioamide has a molecular weight of 1054.93 g/mol, XLogP of 9.77, 10 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[4-(4-chlorophenyl)piperidin-1-yl]-1-hydroxyethyl]-N-(3,4-dichlorophenyl)-4-hydroxypiperidine-1-carboxamide;4-[2-[4-(4-chlorophenyl)piperidin-1-yl]-1-hydroxyethyl]-4-hydroxy-N-(2,3,5-trifluorophenyl)piperidine-1-carbothioamide is sourced from PubChem (CID 160668137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).