2-[2-[2-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]ethoxy]ethoxy]ethyl-[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium;[1-[2-[[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]methyl]prop-2-enyl]piperidin-4-yl] N-benzhydrylcarbamate;8-(2-methoxyphenyl)octyl-dimethyl-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]azanium;[1-[[4-[4-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]phenyl]methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

C171H207N15O17+2 — CID 159806442

About 2-[2-[2-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]ethoxy]ethoxy]ethyl-[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium;[1-[2-[[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]methyl]prop-2-enyl]piperidin-4-yl] N-benzhydrylcarbamate;8-(2-methoxyphenyl)octyl-dimethyl-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]azanium;[1-[[4-[4-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]phenyl]methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

2-[2-[2-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]ethoxy]ethoxy]ethyl-[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium;[1-[2-[[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]methyl]prop-2-enyl]piperidin-4-yl] N-benzhydrylcarbamate;8-(2-methoxyphenyl)octyl-dimethyl-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]azanium;[1-[[4-[4-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]phenyl]methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (PubChem CID 159806442) has the molecular formula C171H207N15O17+2 and a molecular weight of 2744.62 g/mol. Its IUPAC name is 2-[2-[2-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]ethoxy]ethoxy]ethyl-[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium;[1-[2-[[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]methyl]prop-2-enyl]piperidin-4-yl] N-benzhydrylcarbamate;8-(2-methoxyphenyl)octyl-dimethyl-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]azanium;[1-[[4-[4-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]phenyl]methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.

Molecular Properties

• Compound Name: 2-[2-[2-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]ethoxy]ethoxy]ethyl-[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium;[1-[2-[[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]methyl]prop-2-enyl]piperidin-4-yl] N-benzhydrylcarbamate;8-(2-methoxyphenyl)octyl-dimethyl-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]azanium;[1-[[4-[4-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]phenyl]methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
• PubChem CID: 159806442
• Molecular Formula: C171H207N15O17+2
• Molecular Weight: 2744.62 g/mol
• Exact Mass: 2742.58
• IUPAC Name: 2-[2-[2-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]ethoxy]ethoxy]ethyl-[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium;[1-[2-[[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]methyl]prop-2-enyl]piperidin-4-yl] N-benzhydrylcarbamate;8-(2-methoxyphenyl)octyl-dimethyl-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]azanium;[1-[[4-[4-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]phenyl]methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
• SMILES: C=C(CN1CCC(OC(=O)NC(c2ccccc2)c2ccccc2)CC1)CN1CCC(OC(=O)NC(c2ccccc2)c2ccccc2)CC1.COc1ccccc1CCCCCCCC[N+](C)(C)CCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.C[N+](C)(CCCN1C(=O)c2ccccc2C1=O)CCOCCOCCN1CCC(OC(=O)NC(c2ccccc2)c2ccccc2)CC1.O=C(Nc1ccccc1-c1ccccc1)OC1CCN(Cc2ccc(-c3ccc(CN4CCC(OC(=O)Nc5ccccc5-c5ccccc5)CC4)cc3)cc2)CC1
• InChI: InChI=1S/C50H50N4O4.C42H48N4O4.C41H59N3O3.C38H48N4O6/c55-49(51-47-17-9-7-15-45(47)41-11-3-1-4-12-41)57-43-27-31-53(32-28-43)35-37-19-23-39(24-20-37)40-25-21-38(22-26-40)36-54-33-29-44(30-34-54)58-50(56)52-48-18-10-8-16-46(48)42-13-5-2-6-14-42;1-32(30-45-26-22-37(23-27-45)49-41(47)43-39(33-14-6-2-7-15-33)34-16-8-3-9-17-34)31-46-28-24-38(25-29-46)50-42(48)44-40(35-18-10-4-11-19-35)36-20-12-5-13-21-36;1-44(2,33-19-8-5-4-6-11-23-36-24-14-17-27-40(36)46-3)34-20-9-7-18-30-43-31-28-37(29-32-43)47-41(45)42-39-26-16-15-25-38(39)35-21-12-10-13-22-35;1-42(2,24-11-20-41-36(43)33-16-9-10-17-34(33)37(41)44)25-27-47-29-28-46-26-23-40-21-18-32(19-22-40)48-38(45)39-35(30-12-5-3-6-13-30)31-14-7-4-8-15-31/h1-26,43-44H,27-36H2,(H,51,55)(H,52,56);2-21,37-40H,1,22-31H2,(H,43,47)(H,44,48);10,12-17,21-22,24-27,37H,4-9,11,18-20,23,28-34H2,1-3H3;3-10,12-17,32,35H,11,18-29H2,1-2H3/p+2
• InChIKey: PLEGPNLJVYZPTG-UHFFFAOYSA-P
• XLogP: 32.97
• TPSA: 314.49 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 60
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2744.62
LogP ≤ 5	32.97
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 2-[2-[2-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]ethoxy]ethoxy]ethyl-[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium;[1-[2-[[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]methyl]prop-2-enyl]piperidin-4-yl] N-benzhydrylcarbamate;8-(2-methoxyphenyl)octyl-dimethyl-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]azanium;[1-[[4-[4-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]phenyl]methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

The IUPAC name of 2-[2-[2-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]ethoxy]ethoxy]ethyl-[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium;[1-[2-[[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]methyl]prop-2-enyl]piperidin-4-yl] N-benzhydrylcarbamate;8-(2-methoxyphenyl)octyl-dimethyl-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]azanium;[1-[[4-[4-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]phenyl]methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (CID 159806442) is 2-[2-[2-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]ethoxy]ethoxy]ethyl-[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium;[1-[2-[[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]methyl]prop-2-enyl]piperidin-4-yl] N-benzhydrylcarbamate;8-(2-methoxyphenyl)octyl-dimethyl-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]azanium;[1-[[4-[4-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]phenyl]methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.

What is the SMILES notation for 2-[2-[2-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]ethoxy]ethoxy]ethyl-[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium;[1-[2-[[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]methyl]prop-2-enyl]piperidin-4-yl] N-benzhydrylcarbamate;8-(2-methoxyphenyl)octyl-dimethyl-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]azanium;[1-[[4-[4-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]phenyl]methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

The canonical SMILES for 2-[2-[2-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]ethoxy]ethoxy]ethyl-[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium;[1-[2-[[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]methyl]prop-2-enyl]piperidin-4-yl] N-benzhydrylcarbamate;8-(2-methoxyphenyl)octyl-dimethyl-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]azanium;[1-[[4-[4-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]phenyl]methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is C=C(CN1CCC(OC(=O)NC(c2ccccc2)c2ccccc2)CC1)CN1CCC(OC(=O)NC(c2ccccc2)c2ccccc2)CC1.COc1ccccc1CCCCCCCC[N+](C)(C)CCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.C[N+](C)(CCCN1C(=O)c2ccccc2C1=O)CCOCCOCCN1CCC(OC(=O)NC(c2ccccc2)c2ccccc2)CC1.O=C(Nc1ccccc1-c1ccccc1)OC1CCN(Cc2ccc(-c3ccc(CN4CCC(OC(=O)Nc5ccccc5-c5ccccc5)CC4)cc3)cc2)CC1.

What is the InChIKey of 2-[2-[2-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]ethoxy]ethoxy]ethyl-[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium;[1-[2-[[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]methyl]prop-2-enyl]piperidin-4-yl] N-benzhydrylcarbamate;8-(2-methoxyphenyl)octyl-dimethyl-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]azanium;[1-[[4-[4-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]phenyl]methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

The InChIKey is PLEGPNLJVYZPTG-UHFFFAOYSA-P. The full InChI is InChI=1S/C50H50N4O4.C42H48N4O4.C41H59N3O3.C38H48N4O6/c55-49(51-47-17-9-7-15-45(47)41-11-3-1-4-12-41)57-43-27-31-53(32-28-43)35-37-19-23-39(24-20-37)40-25-21-38(22-26-40)36-54-33-29-44(30-34-54)58-50(56)52-48-18-10-8-16-46(48)42-13-5-2-6-14-42;1-32(30-45-26-22-37(23-27-45)49-41(47)43-39(33-14-6-2-7-15-33)34-16-8-3-9-17-34)31-46-28-24-38(25-29-46)50-42(48)44-40(35-18-10-4-11-19-35)36-20-12-5-13-21-36;1-44(2,33-19-8-5-4-6-11-23-36-24-14-17-27-40(36)46-3)34-20-9-7-18-30-43-31-28-37(29-32-43)47-41(45)42-39-26-16-15-25-38(39)35-21-12-10-13-22-35;1-42(2,24-11-20-41-36(43)33-16-9-10-17-34(33)37(41)44)25-27-47-29-28-46-26-23-40-21-18-32(19-22-40)48-38(45)39-35(30-12-5-3-6-13-30)31-14-7-4-8-15-31/h1-26,43-44H,27-36H2,(H,51,55)(H,52,56);2-21,37-40H,1,22-31H2,(H,43,47)(H,44,48);10,12-17,21-22,24-27,37H,4-9,11,18-20,23,28-34H2,1-3H3;3-10,12-17,32,35H,11,18-29H2,1-2H3/p+2.

What are the key properties of 2-[2-[2-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]ethoxy]ethoxy]ethyl-[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium;[1-[2-[[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]methyl]prop-2-enyl]piperidin-4-yl] N-benzhydrylcarbamate;8-(2-methoxyphenyl)octyl-dimethyl-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]azanium;[1-[[4-[4-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]phenyl]methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

2-[2-[2-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]ethoxy]ethoxy]ethyl-[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium;[1-[2-[[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]methyl]prop-2-enyl]piperidin-4-yl] N-benzhydrylcarbamate;8-(2-methoxyphenyl)octyl-dimethyl-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]azanium;[1-[[4-[4-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]phenyl]methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate has a molecular weight of 2744.62 g/mol, XLogP of 32.97, 60 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]ethoxy]ethoxy]ethyl-[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium;[1-[2-[[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]methyl]prop-2-enyl]piperidin-4-yl] N-benzhydrylcarbamate;8-(2-methoxyphenyl)octyl-dimethyl-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]azanium;[1-[[4-[4-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]phenyl]methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 159806442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).