4-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]butyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;[2,3-dihydroxy-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]butyl]-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;[1-[7-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]heptyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;2-[1-[2-[(3-hydroxy-3-phenylpropyl)-methylamino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide

C138H171N15O16+2 — CID 158795103

About 4-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]butyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;[2,3-dihydroxy-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]butyl]-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;[1-[7-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]heptyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;2-[1-[2-[(3-hydroxy-3-phenylpropyl)-methylamino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide

4-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]butyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;[2,3-dihydroxy-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]butyl]-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;[1-[7-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]heptyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;2-[1-[2-[(3-hydroxy-3-phenylpropyl)-methylamino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide (PubChem CID 158795103) has the molecular formula C138H171N15O16+2 and a molecular weight of 2295.97 g/mol. Its IUPAC name is 4-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]butyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;[2,3-dihydroxy-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]butyl]-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;[1-[7-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]heptyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;2-[1-[2-[(3-hydroxy-3-phenylpropyl)-methylamino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide.

Molecular Properties

• Compound Name: 4-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]butyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;[2,3-dihydroxy-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]butyl]-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;[1-[7-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]heptyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;2-[1-[2-[(3-hydroxy-3-phenylpropyl)-methylamino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
• PubChem CID: 158795103
• Molecular Formula: C138H171N15O16+2
• Molecular Weight: 2295.97 g/mol
• Exact Mass: 2294.30
• IUPAC Name: 4-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]butyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;[2,3-dihydroxy-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]butyl]-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;[1-[7-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]heptyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;2-[1-[2-[(3-hydroxy-3-phenylpropyl)-methylamino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
• SMILES: CN(CCC(O)c1ccccc1)CCN1CCC(C(C(N)=O)(c2ccccc2)c2ccccc2)C1.CN(CCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)CCCN1C(=O)c2ccccc2C1=O.C[N+](C)(CCCCN1C(=O)c2ccccc2C1=O)CC(O)C(O)CN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.C[N+](C)(CCCCN1CCC(OC(=O)NC(c2ccccc2)c2ccccc2)CC1)CCN1C(=O)c2ccccc2C1=O
• InChI: InChI=1S/C37H46N4O4.C36H44N4O6.C35H42N4O4.C30H37N3O2/c1-39(24-14-26-41-35(42)32-18-8-9-19-33(32)36(41)43)23-12-3-2-4-13-25-40-27-21-30(22-28-40)45-37(44)38-34-20-11-10-17-31(34)29-15-6-5-7-16-29;1-40(2,23-11-10-20-39-34(43)29-15-6-7-16-30(29)35(39)44)25-33(42)32(41)24-38-21-18-27(19-22-38)46-36(45)37-31-17-9-8-14-28(31)26-12-4-3-5-13-26;1-39(2,26-24-38-33(40)30-17-9-10-18-31(30)34(38)41)25-12-11-21-37-22-19-29(20-23-37)43-35(42)36-32(27-13-5-3-6-14-27)28-15-7-4-8-16-28;1-32(19-18-28(34)24-11-5-2-6-12-24)21-22-33-20-17-27(23-33)30(29(31)35,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h5-11,15-20,30H,2-4,12-14,21-28H2,1H3,(H,38,44);3-9,12-17,27,32-33,41-42H,10-11,18-25H2,1-2H3;3-10,13-18,29,32H,11-12,19-26H2,1-2H3;2-16,27-28,34H,17-23H2,1H3,(H2,31,35)/p+2
• InChIKey: RTRIMNNQZQOUHX-UHFFFAOYSA-P
• XLogP: 20.13
• TPSA: 350.35 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 51
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2295.97
LogP ≤ 5	20.13
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_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 4-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]butyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;[2,3-dihydroxy-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]butyl]-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;[1-[7-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]heptyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;2-[1-[2-[(3-hydroxy-3-phenylpropyl)-methylamino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?

The IUPAC name of 4-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]butyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;[2,3-dihydroxy-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]butyl]-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;[1-[7-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]heptyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;2-[1-[2-[(3-hydroxy-3-phenylpropyl)-methylamino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide (CID 158795103) is 4-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]butyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;[2,3-dihydroxy-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]butyl]-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;[1-[7-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]heptyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;2-[1-[2-[(3-hydroxy-3-phenylpropyl)-methylamino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide.

What is the SMILES notation for 4-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]butyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;[2,3-dihydroxy-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]butyl]-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;[1-[7-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]heptyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;2-[1-[2-[(3-hydroxy-3-phenylpropyl)-methylamino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?

The canonical SMILES for 4-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]butyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;[2,3-dihydroxy-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]butyl]-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;[1-[7-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]heptyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;2-[1-[2-[(3-hydroxy-3-phenylpropyl)-methylamino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide is CN(CCC(O)c1ccccc1)CCN1CCC(C(C(N)=O)(c2ccccc2)c2ccccc2)C1.CN(CCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)CCCN1C(=O)c2ccccc2C1=O.C[N+](C)(CCCCN1C(=O)c2ccccc2C1=O)CC(O)C(O)CN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.C[N+](C)(CCCCN1CCC(OC(=O)NC(c2ccccc2)c2ccccc2)CC1)CCN1C(=O)c2ccccc2C1=O.

What is the InChIKey of 4-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]butyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;[2,3-dihydroxy-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]butyl]-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;[1-[7-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]heptyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;2-[1-[2-[(3-hydroxy-3-phenylpropyl)-methylamino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?

The InChIKey is RTRIMNNQZQOUHX-UHFFFAOYSA-P. The full InChI is InChI=1S/C37H46N4O4.C36H44N4O6.C35H42N4O4.C30H37N3O2/c1-39(24-14-26-41-35(42)32-18-8-9-19-33(32)36(41)43)23-12-3-2-4-13-25-40-27-21-30(22-28-40)45-37(44)38-34-20-11-10-17-31(34)29-15-6-5-7-16-29;1-40(2,23-11-10-20-39-34(43)29-15-6-7-16-30(29)35(39)44)25-33(42)32(41)24-38-21-18-27(19-22-38)46-36(45)37-31-17-9-8-14-28(31)26-12-4-3-5-13-26;1-39(2,26-24-38-33(40)30-17-9-10-18-31(30)34(38)41)25-12-11-21-37-22-19-29(20-23-37)43-35(42)36-32(27-13-5-3-6-14-27)28-15-7-4-8-16-28;1-32(19-18-28(34)24-11-5-2-6-12-24)21-22-33-20-17-27(23-33)30(29(31)35,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h5-11,15-20,30H,2-4,12-14,21-28H2,1H3,(H,38,44);3-9,12-17,27,32-33,41-42H,10-11,18-25H2,1-2H3;3-10,13-18,29,32H,11-12,19-26H2,1-2H3;2-16,27-28,34H,17-23H2,1H3,(H2,31,35)/p+2.

What are the key properties of 4-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]butyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;[2,3-dihydroxy-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]butyl]-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;[1-[7-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]heptyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;2-[1-[2-[(3-hydroxy-3-phenylpropyl)-methylamino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?

4-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]butyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;[2,3-dihydroxy-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]butyl]-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;[1-[7-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]heptyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;2-[1-[2-[(3-hydroxy-3-phenylpropyl)-methylamino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide has a molecular weight of 2295.97 g/mol, XLogP of 20.13, 51 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]butyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;[2,3-dihydroxy-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]butyl]-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;[1-[7-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]heptyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;2-[1-[2-[(3-hydroxy-3-phenylpropyl)-methylamino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 158795103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).