(3R)-3-[(1S)-1-(3-chloro-2-fluorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1R)-1-[2-(2-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-[2-(2-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-[2-(3-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-[2-(4-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide

C152H228Cl5F2N15O15 — CID 159716260

About (3R)-3-[(1S)-1-(3-chloro-2-fluorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1R)-1-[2-(2-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-[2-(2-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-[2-(3-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-[2-(4-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide

(3R)-3-[(1S)-1-(3-chloro-2-fluorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1R)-1-[2-(2-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-[2-(2-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-[2-(3-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-[2-(4-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide (PubChem CID 159716260) has the molecular formula C152H228Cl5F2N15O15 and a molecular weight of 2720.85 g/mol. Its IUPAC name is (3R)-3-[(1S)-1-(3-chloro-2-fluorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1R)-1-[2-(2-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-[2-(2-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-[2-(3-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-[2-(4-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: (3R)-3-[(1S)-1-(3-chloro-2-fluorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1R)-1-[2-(2-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-[2-(2-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-[2-(3-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-[2-(4-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide
• PubChem CID: 159716260
• Molecular Formula: C152H228Cl5F2N15O15
• Molecular Weight: 2720.85 g/mol
• Exact Mass: 2716.60
• IUPAC Name: (3R)-3-[(1S)-1-(3-chloro-2-fluorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1R)-1-[2-(2-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-[2-(2-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-[2-(3-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-[2-(4-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide
• SMILES: CNC[C@H](CC(C)C)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2ccccc2-c2ccc(Cl)cc2)C1.CNC[C@H](CC(C)C)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2ccccc2-c2cccc(Cl)c2)C1.CNC[C@H](CC(C)C)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2ccccc2-c2ccccc2Cl)C1.CNC[C@H](CC(C)C)NC(=O)N1CCC[C@@H]([C@](O)(CCCCOC)c2ccccc2-c2ccccc2Cl)C1.CNC[C@H](CC1CCC(F)CC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cccc(Cl)c2F)C1
• InChI: InChI=1S/4C31H46ClN3O3.C28H44ClF2N3O3/c2*1-23(2)20-25(21-33-3)34-30(36)35-18-11-12-24(22-35)31(37,17-9-10-19-38-4)28-15-7-5-13-26(28)27-14-6-8-16-29(27)32;1-23(2)19-27(21-33-3)34-30(36)35-17-10-12-25(22-35)31(37,16-7-8-18-38-4)29-15-6-5-14-28(29)24-11-9-13-26(32)20-24;1-23(2)20-27(21-33-3)34-30(36)35-18-9-10-25(22-35)31(37,17-7-8-19-38-4)29-12-6-5-11-28(29)24-13-15-26(32)16-14-24;1-32-18-23(17-20-10-12-22(30)13-11-20)33-27(35)34-15-6-7-21(19-34)28(36,14-3-4-16-37-2)24-8-5-9-25(29)26(24)31/h2*5-8,13-16,23-25,33,37H,9-12,17-22H2,1-4H3,(H,34,36);5-6,9,11,13-15,20,23,25,27,33,37H,7-8,10,12,16-19,21-22H2,1-4H3,(H,34,36);5-6,11-16,23,25,27,33,37H,7-10,17-22H2,1-4H3,(H,34,36);5,8-9,20-23,32,36H,3-4,6-7,10-19H2,1-2H3,(H,33,35)/t24-,25+,31+;24-,25+,31-;2*25-,27+,31+;20?,21-,22?,23+,28+/m11111/s1
• InChIKey: MZLXBNGSKVHYFO-LSDKSQABSA-N
• XLogP: 29.68
• TPSA: 369.15 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 20
• Rotatable Bonds: 64
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2720.85
LogP ≤ 5	29.68
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(1S)-1-(3-chloro-2-fluorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1R)-1-[2-(2-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-[2-(2-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-[2-(3-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-[2-(4-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide?

The IUPAC name of (3R)-3-[(1S)-1-(3-chloro-2-fluorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1R)-1-[2-(2-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-[2-(2-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-[2-(3-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-[2-(4-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide (CID 159716260) is (3R)-3-[(1S)-1-(3-chloro-2-fluorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1R)-1-[2-(2-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-[2-(2-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-[2-(3-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-[2-(4-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide.

What is the SMILES notation for (3R)-3-[(1S)-1-(3-chloro-2-fluorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1R)-1-[2-(2-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-[2-(2-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-[2-(3-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-[2-(4-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide?

The canonical SMILES for (3R)-3-[(1S)-1-(3-chloro-2-fluorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1R)-1-[2-(2-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-[2-(2-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-[2-(3-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-[2-(4-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide is CNC[C@H](CC(C)C)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2ccccc2-c2ccc(Cl)cc2)C1.CNC[C@H](CC(C)C)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2ccccc2-c2cccc(Cl)c2)C1.CNC[C@H](CC(C)C)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2ccccc2-c2ccccc2Cl)C1.CNC[C@H](CC(C)C)NC(=O)N1CCC[C@@H]([C@](O)(CCCCOC)c2ccccc2-c2ccccc2Cl)C1.CNC[C@H](CC1CCC(F)CC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cccc(Cl)c2F)C1.

What is the InChIKey of (3R)-3-[(1S)-1-(3-chloro-2-fluorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1R)-1-[2-(2-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-[2-(2-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-[2-(3-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-[2-(4-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide?

The InChIKey is MZLXBNGSKVHYFO-LSDKSQABSA-N. The full InChI is InChI=1S/4C31H46ClN3O3.C28H44ClF2N3O3/c2*1-23(2)20-25(21-33-3)34-30(36)35-18-11-12-24(22-35)31(37,17-9-10-19-38-4)28-15-7-5-13-26(28)27-14-6-8-16-29(27)32;1-23(2)19-27(21-33-3)34-30(36)35-17-10-12-25(22-35)31(37,16-7-8-18-38-4)29-15-6-5-14-28(29)24-11-9-13-26(32)20-24;1-23(2)20-27(21-33-3)34-30(36)35-18-9-10-25(22-35)31(37,17-7-8-19-38-4)29-12-6-5-11-28(29)24-13-15-26(32)16-14-24;1-32-18-23(17-20-10-12-22(30)13-11-20)33-27(35)34-15-6-7-21(19-34)28(36,14-3-4-16-37-2)24-8-5-9-25(29)26(24)31/h2*5-8,13-16,23-25,33,37H,9-12,17-22H2,1-4H3,(H,34,36);5-6,9,11,13-15,20,23,25,27,33,37H,7-8,10,12,16-19,21-22H2,1-4H3,(H,34,36);5-6,11-16,23,25,27,33,37H,7-10,17-22H2,1-4H3,(H,34,36);5,8-9,20-23,32,36H,3-4,6-7,10-19H2,1-2H3,(H,33,35)/t24-,25+,31+;24-,25+,31-;2*25-,27+,31+;20?,21-,22?,23+,28+/m11111/s1.

What are the key properties of (3R)-3-[(1S)-1-(3-chloro-2-fluorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1R)-1-[2-(2-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-[2-(2-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-[2-(3-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-[2-(4-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide?

(3R)-3-[(1S)-1-(3-chloro-2-fluorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1R)-1-[2-(2-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-[2-(2-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-[2-(3-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-[2-(4-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide has a molecular weight of 2720.85 g/mol, XLogP of 29.68, 64 rotatable bonds, 15 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[(1S)-1-(3-chloro-2-fluorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1R)-1-[2-(2-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-[2-(2-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-[2-(3-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-[2-(4-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 159716260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).