2-chloro-4-[4-[[1-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylacetyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide;2-chloro-4-[4-[[1-[(2R)-2-(3-ethoxyphenyl)-3,3-difluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide;2-chloro-4-[4-[[1-(2-hydroxy-3-methyl-2-phenylbutanoyl)piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide;2-chloro-4-[4-[[1-[2-(3-methoxyphenyl)-2-oxoacetyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide

C122H158Cl4F2N12O14 — CID 158672760

About 2-chloro-4-[4-[[1-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylacetyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide;2-chloro-4-[4-[[1-[(2R)-2-(3-ethoxyphenyl)-3,3-difluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide;2-chloro-4-[4-[[1-(2-hydroxy-3-methyl-2-phenylbutanoyl)piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide;2-chloro-4-[4-[[1-[2-(3-methoxyphenyl)-2-oxoacetyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide

2-chloro-4-[4-[[1-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylacetyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide;2-chloro-4-[4-[[1-[(2R)-2-(3-ethoxyphenyl)-3,3-difluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide;2-chloro-4-[4-[[1-(2-hydroxy-3-methyl-2-phenylbutanoyl)piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide;2-chloro-4-[4-[[1-[2-(3-methoxyphenyl)-2-oxoacetyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide (PubChem CID 158672760) has the molecular formula C122H158Cl4F2N12O14 and a molecular weight of 2196.48 g/mol. Its IUPAC name is 2-chloro-4-[4-[[1-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylacetyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide;2-chloro-4-[4-[[1-[(2R)-2-(3-ethoxyphenyl)-3,3-difluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide;2-chloro-4-[4-[[1-(2-hydroxy-3-methyl-2-phenylbutanoyl)piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide;2-chloro-4-[4-[[1-[2-(3-methoxyphenyl)-2-oxoacetyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide.

Molecular Properties

• Compound Name: 2-chloro-4-[4-[[1-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylacetyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide;2-chloro-4-[4-[[1-[(2R)-2-(3-ethoxyphenyl)-3,3-difluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide;2-chloro-4-[4-[[1-(2-hydroxy-3-methyl-2-phenylbutanoyl)piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide;2-chloro-4-[4-[[1-[2-(3-methoxyphenyl)-2-oxoacetyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide
• PubChem CID: 158672760
• Molecular Formula: C122H158Cl4F2N12O14
• Molecular Weight: 2196.48 g/mol
• Exact Mass: 2193.07
• IUPAC Name: 2-chloro-4-[4-[[1-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylacetyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide;2-chloro-4-[4-[[1-[(2R)-2-(3-ethoxyphenyl)-3,3-difluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide;2-chloro-4-[4-[[1-(2-hydroxy-3-methyl-2-phenylbutanoyl)piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide;2-chloro-4-[4-[[1-[2-(3-methoxyphenyl)-2-oxoacetyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide
• SMILES: CC(C)C(O)(C(=O)N1CCC(CC2CCN(c3ccc(C(=O)N(C)C)c(Cl)c3)CC2)CC1)c1ccccc1.CCOc1cccc([C@@](O)(C(=O)N2CCC(CC3CCN(c4ccc(C(=O)N(C)C)c(Cl)c4)CC3)CC2)C(F)F)c1.CN(C)C(=O)c1ccc(N2CCC(CC3CCN(C(=O)[C@](O)(c4ccccc4)C4CC4)CC3)CC2)cc1Cl.COc1cccc(C(=O)C(=O)N2CCC(CC3CCN(c4ccc(C(=O)N(C)C)c(Cl)c4)CC3)CC2)c1
• InChI: InChI=1S/C31H40ClF2N3O4.C31H40ClN3O3.C31H42ClN3O3.C29H36ClN3O4/c1-4-41-25-7-5-6-23(19-25)31(40,29(33)34)30(39)37-16-12-22(13-17-37)18-21-10-14-36(15-11-21)24-8-9-26(27(32)20-24)28(38)35(2)3;1-33(2)29(36)27-11-10-26(21-28(27)32)34-16-12-22(13-17-34)20-23-14-18-35(19-15-23)30(37)31(38,25-8-9-25)24-6-4-3-5-7-24;1-22(2)31(38,25-8-6-5-7-9-25)30(37)35-18-14-24(15-19-35)20-23-12-16-34(17-13-23)26-10-11-27(28(32)21-26)29(36)33(3)4;1-31(2)28(35)25-8-7-23(19-26(25)30)32-13-9-20(10-14-32)17-21-11-15-33(16-12-21)29(36)27(34)22-5-4-6-24(18-22)37-3/h5-9,19-22,29,40H,4,10-18H2,1-3H3;3-7,10-11,21-23,25,38H,8-9,12-20H2,1-2H3;5-11,21-24,38H,12-20H2,1-4H3;4-8,18-21H,9-17H2,1-3H3/t2*31-;;/m00../s1
• InChIKey: IEDNQJTXNDSLPH-BQAYGMINSA-N
• XLogP: 20.83
• TPSA: 271.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 30
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2196.48
LogP ≤ 5	20.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4-[[1-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylacetyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide;2-chloro-4-[4-[[1-[(2R)-2-(3-ethoxyphenyl)-3,3-difluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide;2-chloro-4-[4-[[1-(2-hydroxy-3-methyl-2-phenylbutanoyl)piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide;2-chloro-4-[4-[[1-[2-(3-methoxyphenyl)-2-oxoacetyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide?

The IUPAC name of 2-chloro-4-[4-[[1-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylacetyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide;2-chloro-4-[4-[[1-[(2R)-2-(3-ethoxyphenyl)-3,3-difluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide;2-chloro-4-[4-[[1-(2-hydroxy-3-methyl-2-phenylbutanoyl)piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide;2-chloro-4-[4-[[1-[2-(3-methoxyphenyl)-2-oxoacetyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide (CID 158672760) is 2-chloro-4-[4-[[1-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylacetyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide;2-chloro-4-[4-[[1-[(2R)-2-(3-ethoxyphenyl)-3,3-difluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide;2-chloro-4-[4-[[1-(2-hydroxy-3-methyl-2-phenylbutanoyl)piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide;2-chloro-4-[4-[[1-[2-(3-methoxyphenyl)-2-oxoacetyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide.

What is the SMILES notation for 2-chloro-4-[4-[[1-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylacetyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide;2-chloro-4-[4-[[1-[(2R)-2-(3-ethoxyphenyl)-3,3-difluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide;2-chloro-4-[4-[[1-(2-hydroxy-3-methyl-2-phenylbutanoyl)piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide;2-chloro-4-[4-[[1-[2-(3-methoxyphenyl)-2-oxoacetyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide?

The canonical SMILES for 2-chloro-4-[4-[[1-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylacetyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide;2-chloro-4-[4-[[1-[(2R)-2-(3-ethoxyphenyl)-3,3-difluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide;2-chloro-4-[4-[[1-(2-hydroxy-3-methyl-2-phenylbutanoyl)piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide;2-chloro-4-[4-[[1-[2-(3-methoxyphenyl)-2-oxoacetyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide is CC(C)C(O)(C(=O)N1CCC(CC2CCN(c3ccc(C(=O)N(C)C)c(Cl)c3)CC2)CC1)c1ccccc1.CCOc1cccc([C@@](O)(C(=O)N2CCC(CC3CCN(c4ccc(C(=O)N(C)C)c(Cl)c4)CC3)CC2)C(F)F)c1.CN(C)C(=O)c1ccc(N2CCC(CC3CCN(C(=O)[C@](O)(c4ccccc4)C4CC4)CC3)CC2)cc1Cl.COc1cccc(C(=O)C(=O)N2CCC(CC3CCN(c4ccc(C(=O)N(C)C)c(Cl)c4)CC3)CC2)c1.

What is the InChIKey of 2-chloro-4-[4-[[1-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylacetyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide;2-chloro-4-[4-[[1-[(2R)-2-(3-ethoxyphenyl)-3,3-difluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide;2-chloro-4-[4-[[1-(2-hydroxy-3-methyl-2-phenylbutanoyl)piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide;2-chloro-4-[4-[[1-[2-(3-methoxyphenyl)-2-oxoacetyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide?

The InChIKey is IEDNQJTXNDSLPH-BQAYGMINSA-N. The full InChI is InChI=1S/C31H40ClF2N3O4.C31H40ClN3O3.C31H42ClN3O3.C29H36ClN3O4/c1-4-41-25-7-5-6-23(19-25)31(40,29(33)34)30(39)37-16-12-22(13-17-37)18-21-10-14-36(15-11-21)24-8-9-26(27(32)20-24)28(38)35(2)3;1-33(2)29(36)27-11-10-26(21-28(27)32)34-16-12-22(13-17-34)20-23-14-18-35(19-15-23)30(37)31(38,25-8-9-25)24-6-4-3-5-7-24;1-22(2)31(38,25-8-6-5-7-9-25)30(37)35-18-14-24(15-19-35)20-23-12-16-34(17-13-23)26-10-11-27(28(32)21-26)29(36)33(3)4;1-31(2)28(35)25-8-7-23(19-26(25)30)32-13-9-20(10-14-32)17-21-11-15-33(16-12-21)29(36)27(34)22-5-4-6-24(18-22)37-3/h5-9,19-22,29,40H,4,10-18H2,1-3H3;3-7,10-11,21-23,25,38H,8-9,12-20H2,1-2H3;5-11,21-24,38H,12-20H2,1-4H3;4-8,18-21H,9-17H2,1-3H3/t2*31-;;/m00../s1.

What are the key properties of 2-chloro-4-[4-[[1-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylacetyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide;2-chloro-4-[4-[[1-[(2R)-2-(3-ethoxyphenyl)-3,3-difluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide;2-chloro-4-[4-[[1-(2-hydroxy-3-methyl-2-phenylbutanoyl)piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide;2-chloro-4-[4-[[1-[2-(3-methoxyphenyl)-2-oxoacetyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide?

2-chloro-4-[4-[[1-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylacetyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide;2-chloro-4-[4-[[1-[(2R)-2-(3-ethoxyphenyl)-3,3-difluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide;2-chloro-4-[4-[[1-(2-hydroxy-3-methyl-2-phenylbutanoyl)piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide;2-chloro-4-[4-[[1-[2-(3-methoxyphenyl)-2-oxoacetyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide has a molecular weight of 2196.48 g/mol, XLogP of 20.83, 30 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-[4-[[1-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylacetyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide;2-chloro-4-[4-[[1-[(2R)-2-(3-ethoxyphenyl)-3,3-difluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide;2-chloro-4-[4-[[1-(2-hydroxy-3-methyl-2-phenylbutanoyl)piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide;2-chloro-4-[4-[[1-[2-(3-methoxyphenyl)-2-oxoacetyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 158672760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).