8-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]octyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;3-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]propyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;2-benzhydryloxyethyl-dimethyl-[9-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]nonyl]azanium;[1-[3-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]-2-hydroxypropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

C151H190N15O16+3 — CID 159168631

About 8-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]octyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;3-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]propyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;2-benzhydryloxyethyl-dimethyl-[9-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]nonyl]azanium;[1-[3-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]-2-hydroxypropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

8-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]octyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;3-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]propyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;2-benzhydryloxyethyl-dimethyl-[9-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]nonyl]azanium;[1-[3-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]-2-hydroxypropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (PubChem CID 159168631) has the molecular formula C151H190N15O16+3 and a molecular weight of 2471.27 g/mol. Its IUPAC name is 8-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]octyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;3-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]propyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;2-benzhydryloxyethyl-dimethyl-[9-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]nonyl]azanium;[1-[3-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]-2-hydroxypropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.

Molecular Properties

• Compound Name: 8-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]octyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;3-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]propyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;2-benzhydryloxyethyl-dimethyl-[9-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]nonyl]azanium;[1-[3-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]-2-hydroxypropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
• PubChem CID: 159168631
• Molecular Formula: C151H190N15O16+3
• Molecular Weight: 2471.27 g/mol
• Exact Mass: 2469.45
• IUPAC Name: 8-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]octyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;3-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]propyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;2-benzhydryloxyethyl-dimethyl-[9-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]nonyl]azanium;[1-[3-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]-2-hydroxypropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
• SMILES: CN(CCN1C(=O)c2ccccc2C1=O)CC(O)CN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.C[N+](C)(CCCCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)CCOC(c1ccccc1)c1ccccc1.C[N+](C)(CCCCCCCCN1CCC(OC(=O)NC(c2ccccc2)c2ccccc2)CC1)CCCCN1C(=O)c2ccccc2C1=O.C[N+](C)(CCCN1CCC(OC(=O)NC(c2ccccc2)c2ccccc2)CC1)CCN1C(=O)c2ccccc2C1=O
• InChI: InChI=1S/C44H57N3O3.C41H54N4O4.C34H40N4O4.C32H36N4O5/c1-47(2,35-36-49-43(38-23-13-9-14-24-38)39-25-15-10-16-26-39)34-20-7-5-3-4-6-19-31-46-32-29-40(30-33-46)50-44(48)45-42-28-18-17-27-41(42)37-21-11-8-12-22-37;1-45(2,32-18-16-28-44-39(46)36-23-13-14-24-37(36)40(44)47)31-17-6-4-3-5-15-27-43-29-25-35(26-30-43)49-41(48)42-38(33-19-9-7-10-20-33)34-21-11-8-12-22-34;1-38(2,25-23-37-32(39)29-16-9-10-17-30(29)33(37)40)24-11-20-36-21-18-28(19-22-36)42-34(41)35-31(26-12-5-3-6-13-26)27-14-7-4-8-15-27;1-34(19-20-36-30(38)27-12-5-6-13-28(27)31(36)39)21-24(37)22-35-17-15-25(16-18-35)41-32(40)33-29-14-8-7-11-26(29)23-9-3-2-4-10-23/h8-18,21-28,40,43H,3-7,19-20,29-36H2,1-2H3;7-14,19-24,35,38H,3-6,15-18,25-32H2,1-2H3;3-10,12-17,28,31H,11,18-25H2,1-2H3;2-14,24-25,37H,15-22H2,1H3,(H,33,40)/p+3
• InChIKey: WPYXKQAMZAPUID-UHFFFAOYSA-Q
• XLogP: 26.12
• TPSA: 311.12 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 58
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2471.27
LogP ≤ 5	26.12
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

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 8-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]octyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;3-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]propyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;2-benzhydryloxyethyl-dimethyl-[9-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]nonyl]azanium;[1-[3-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]-2-hydroxypropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

The IUPAC name of 8-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]octyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;3-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]propyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;2-benzhydryloxyethyl-dimethyl-[9-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]nonyl]azanium;[1-[3-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]-2-hydroxypropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (CID 159168631) is 8-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]octyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;3-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]propyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;2-benzhydryloxyethyl-dimethyl-[9-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]nonyl]azanium;[1-[3-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]-2-hydroxypropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.

What is the SMILES notation for 8-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]octyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;3-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]propyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;2-benzhydryloxyethyl-dimethyl-[9-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]nonyl]azanium;[1-[3-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]-2-hydroxypropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

The canonical SMILES for 8-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]octyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;3-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]propyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;2-benzhydryloxyethyl-dimethyl-[9-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]nonyl]azanium;[1-[3-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]-2-hydroxypropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is CN(CCN1C(=O)c2ccccc2C1=O)CC(O)CN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.C[N+](C)(CCCCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)CCOC(c1ccccc1)c1ccccc1.C[N+](C)(CCCCCCCCN1CCC(OC(=O)NC(c2ccccc2)c2ccccc2)CC1)CCCCN1C(=O)c2ccccc2C1=O.C[N+](C)(CCCN1CCC(OC(=O)NC(c2ccccc2)c2ccccc2)CC1)CCN1C(=O)c2ccccc2C1=O.

What is the InChIKey of 8-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]octyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;3-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]propyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;2-benzhydryloxyethyl-dimethyl-[9-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]nonyl]azanium;[1-[3-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]-2-hydroxypropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

The InChIKey is WPYXKQAMZAPUID-UHFFFAOYSA-Q. The full InChI is InChI=1S/C44H57N3O3.C41H54N4O4.C34H40N4O4.C32H36N4O5/c1-47(2,35-36-49-43(38-23-13-9-14-24-38)39-25-15-10-16-26-39)34-20-7-5-3-4-6-19-31-46-32-29-40(30-33-46)50-44(48)45-42-28-18-17-27-41(42)37-21-11-8-12-22-37;1-45(2,32-18-16-28-44-39(46)36-23-13-14-24-37(36)40(44)47)31-17-6-4-3-5-15-27-43-29-25-35(26-30-43)49-41(48)42-38(33-19-9-7-10-20-33)34-21-11-8-12-22-34;1-38(2,25-23-37-32(39)29-16-9-10-17-30(29)33(37)40)24-11-20-36-21-18-28(19-22-36)42-34(41)35-31(26-12-5-3-6-13-26)27-14-7-4-8-15-27;1-34(19-20-36-30(38)27-12-5-6-13-28(27)31(36)39)21-24(37)22-35-17-15-25(16-18-35)41-32(40)33-29-14-8-7-11-26(29)23-9-3-2-4-10-23/h8-18,21-28,40,43H,3-7,19-20,29-36H2,1-2H3;7-14,19-24,35,38H,3-6,15-18,25-32H2,1-2H3;3-10,12-17,28,31H,11,18-25H2,1-2H3;2-14,24-25,37H,15-22H2,1H3,(H,33,40)/p+3.

What are the key properties of 8-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]octyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;3-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]propyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;2-benzhydryloxyethyl-dimethyl-[9-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]nonyl]azanium;[1-[3-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]-2-hydroxypropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

8-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]octyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;3-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]propyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;2-benzhydryloxyethyl-dimethyl-[9-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]nonyl]azanium;[1-[3-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]-2-hydroxypropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate has a molecular weight of 2471.27 g/mol, XLogP of 26.12, 58 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]octyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;3-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]propyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;2-benzhydryloxyethyl-dimethyl-[9-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]nonyl]azanium;[1-[3-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]-2-hydroxypropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 159168631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).