10-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]decyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]azanium;2-[1-[8-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]-3,3,4,4,5,5,6,6-octafluorooctyl]pyrrolidin-3-yl]-2,2-diphenylacetamide

C120H155F8N11O11+2 — CID 159593295

About 10-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]decyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]azanium;2-[1-[8-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]-3,3,4,4,5,5,6,6-octafluorooctyl]pyrrolidin-3-yl]-2,2-diphenylacetamide

10-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]decyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]azanium;2-[1-[8-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]-3,3,4,4,5,5,6,6-octafluorooctyl]pyrrolidin-3-yl]-2,2-diphenylacetamide (PubChem CID 159593295) has the molecular formula C120H155F8N11O11+2 and a molecular weight of 2079.61 g/mol. Its IUPAC name is 10-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]decyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]azanium;2-[1-[8-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]-3,3,4,4,5,5,6,6-octafluorooctyl]pyrrolidin-3-yl]-2,2-diphenylacetamide.

Molecular Properties

• Compound Name: 10-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]decyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]azanium;2-[1-[8-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]-3,3,4,4,5,5,6,6-octafluorooctyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
• PubChem CID: 159593295
• Molecular Formula: C120H155F8N11O11+2
• Molecular Weight: 2079.61 g/mol
• Exact Mass: 2078.18
• IUPAC Name: 10-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]decyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]azanium;2-[1-[8-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]-3,3,4,4,5,5,6,6-octafluorooctyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
• SMILES: CN(CCCN1C(=O)c2ccccc2C1=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCN1CCC(C(C(N)=O)(c2ccccc2)c2ccccc2)C1.COc1ccccc1COCCCCCC[N+](C)(C)CCCCCCCCCCN1CCC(OC(=O)NC(c2ccccc2)c2ccccc2)CC1.C[N+](C)(CCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)CCCN1C(=O)c2ccccc2C1=O
• InChI: InChI=1S/C45H67N3O4.C38H40F8N4O3.C37H46N4O4/c1-48(2,36-22-10-11-23-37-51-38-41-28-18-19-29-43(41)50-3)35-21-9-7-5-4-6-8-20-32-47-33-30-42(31-34-47)52-45(49)46-44(39-24-14-12-15-25-39)40-26-16-13-17-27-40;1-48(20-10-21-50-31(51)29-15-8-9-16-30(29)32(50)52)23-18-34(39,40)37(43,44)38(45,46)35(41,42)19-24-49-22-17-28(25-49)36(33(47)53,26-11-4-2-5-12-26)27-13-6-3-7-14-27;1-41(2,28-14-24-40-35(42)32-18-8-9-19-33(32)36(40)43)27-13-4-3-12-23-39-25-21-30(22-26-39)45-37(44)38-34-20-11-10-17-31(34)29-15-6-5-7-16-29/h12-19,24-29,42,44H,4-11,20-23,30-38H2,1-3H3;2-9,11-16,28H,10,17-25H2,1H3,(H2,47,53);5-11,15-20,30H,3-4,12-14,21-28H2,1-2H3/p+2
• InChIKey: NNCHHXCFRNVLLF-UHFFFAOYSA-P
• XLogP: 23.36
• TPSA: 225.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 56
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2079.61
LogP ≤ 5	23.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]decyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]azanium;2-[1-[8-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]-3,3,4,4,5,5,6,6-octafluorooctyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?

The IUPAC name of 10-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]decyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]azanium;2-[1-[8-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]-3,3,4,4,5,5,6,6-octafluorooctyl]pyrrolidin-3-yl]-2,2-diphenylacetamide (CID 159593295) is 10-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]decyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]azanium;2-[1-[8-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]-3,3,4,4,5,5,6,6-octafluorooctyl]pyrrolidin-3-yl]-2,2-diphenylacetamide.

What is the SMILES notation for 10-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]decyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]azanium;2-[1-[8-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]-3,3,4,4,5,5,6,6-octafluorooctyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?

The canonical SMILES for 10-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]decyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]azanium;2-[1-[8-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]-3,3,4,4,5,5,6,6-octafluorooctyl]pyrrolidin-3-yl]-2,2-diphenylacetamide is CN(CCCN1C(=O)c2ccccc2C1=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCN1CCC(C(C(N)=O)(c2ccccc2)c2ccccc2)C1.COc1ccccc1COCCCCCC[N+](C)(C)CCCCCCCCCCN1CCC(OC(=O)NC(c2ccccc2)c2ccccc2)CC1.C[N+](C)(CCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)CCCN1C(=O)c2ccccc2C1=O.

What is the InChIKey of 10-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]decyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]azanium;2-[1-[8-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]-3,3,4,4,5,5,6,6-octafluorooctyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?

The InChIKey is NNCHHXCFRNVLLF-UHFFFAOYSA-P. The full InChI is InChI=1S/C45H67N3O4.C38H40F8N4O3.C37H46N4O4/c1-48(2,36-22-10-11-23-37-51-38-41-28-18-19-29-43(41)50-3)35-21-9-7-5-4-6-8-20-32-47-33-30-42(31-34-47)52-45(49)46-44(39-24-14-12-15-25-39)40-26-16-13-17-27-40;1-48(20-10-21-50-31(51)29-15-8-9-16-30(29)32(50)52)23-18-34(39,40)37(43,44)38(45,46)35(41,42)19-24-49-22-17-28(25-49)36(33(47)53,26-11-4-2-5-12-26)27-13-6-3-7-14-27;1-41(2,28-14-24-40-35(42)32-18-8-9-19-33(32)36(40)43)27-13-4-3-12-23-39-25-21-30(22-26-39)45-37(44)38-34-20-11-10-17-31(34)29-15-6-5-7-16-29/h12-19,24-29,42,44H,4-11,20-23,30-38H2,1-3H3;2-9,11-16,28H,10,17-25H2,1H3,(H2,47,53);5-11,15-20,30H,3-4,12-14,21-28H2,1-2H3/p+2.

What are the key properties of 10-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]decyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]azanium;2-[1-[8-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]-3,3,4,4,5,5,6,6-octafluorooctyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?

10-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]decyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]azanium;2-[1-[8-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]-3,3,4,4,5,5,6,6-octafluorooctyl]pyrrolidin-3-yl]-2,2-diphenylacetamide has a molecular weight of 2079.61 g/mol, XLogP of 23.36, 56 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]decyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]azanium;2-[1-[8-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]-3,3,4,4,5,5,6,6-octafluorooctyl]pyrrolidin-3-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 159593295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).