[3-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]-2-hydroxypropyl]-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;11-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]undecyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[8-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]octyl]azanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[11-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]undecyl]azanium;[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate

C185H250N18O19+4 — CID 159172134

About [3-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]-2-hydroxypropyl]-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;11-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]undecyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[8-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]octyl]azanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[11-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]undecyl]azanium;[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate

[3-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]-2-hydroxypropyl]-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;11-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]undecyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[8-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]octyl]azanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[11-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]undecyl]azanium;[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate (PubChem CID 159172134) has the molecular formula C185H250N18O19+4 and a molecular weight of 3030.14 g/mol. Its IUPAC name is [3-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]-2-hydroxypropyl]-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;11-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]undecyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[8-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]octyl]azanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[11-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]undecyl]azanium;[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate.

Molecular Properties

• Compound Name: [3-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]-2-hydroxypropyl]-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;11-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]undecyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[8-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]octyl]azanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[11-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]undecyl]azanium;[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
• PubChem CID: 159172134
• Molecular Formula: C185H250N18O19+4
• Molecular Weight: 3030.14 g/mol
• Exact Mass: 3027.91
• IUPAC Name: [3-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]-2-hydroxypropyl]-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;11-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]undecyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[8-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]octyl]azanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[11-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]undecyl]azanium;[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
• SMILES: COc1ccccc1COCCCCCC[N+](C)(C)CC(O)CN1CCC(OC(=O)NC(c2ccccc2)c2ccccc2)CC1.C[N+](C)(CCCCCCCCCCCN1CCC(OC(=O)NC(c2ccccc2)c2ccccc2)CC1)CCN1C(=O)c2ccccc2C1=O.C[N+](C)(CCCCCCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)CCCN1C(=O)c2ccccc2C1=O.C[N+](C)(CCCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)CCCN1C(=O)c2ccccc2C1=O.O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCN2CCCC2)CC1
• InChI: InChI=1S/2C42H56N4O4.C39H50N4O4.C38H53N3O5.C24H31N3O2/c1-46(2,33-31-45-40(47)37-24-16-17-25-38(37)41(45)48)32-19-9-7-5-3-4-6-8-18-28-44-29-26-36(27-30-44)50-42(49)43-39(34-20-12-10-13-21-34)35-22-14-11-15-23-35;1-46(2,33-19-29-45-40(47)37-23-13-14-24-38(37)41(45)48)32-18-9-7-5-3-4-6-8-17-28-44-30-26-35(27-31-44)50-42(49)43-39-25-16-15-22-36(39)34-20-11-10-12-21-34;1-43(2,30-16-26-42-37(44)34-20-10-11-21-35(34)38(42)45)29-15-6-4-3-5-14-25-41-27-23-32(24-28-41)47-39(46)40-36-22-13-12-19-33(36)31-17-8-7-9-18-31;1-41(2,26-14-4-5-15-27-45-30-33-20-12-13-21-36(33)44-3)29-34(42)28-40-24-22-35(23-25-40)46-38(43)39-37(31-16-8-6-9-17-31)32-18-10-7-11-19-32;28-24(25-23-11-5-4-10-22(23)20-8-2-1-3-9-20)29-21-12-16-27(17-13-21)19-18-26-14-6-7-15-26/h10-17,20-25,36,39H,3-9,18-19,26-33H2,1-2H3;10-16,20-25,35H,3-9,17-19,26-33H2,1-2H3;7-13,17-22,32H,3-6,14-16,23-30H2,1-2H3;6-13,16-21,34-35,37,42H,4-5,14-15,22-30H2,1-3H3;1-5,8-11,21H,6-7,12-19H2,(H,25,28)/p+4
• InChIKey: AYVOTGDCFURDAP-UHFFFAOYSA-R
• XLogP: 34.61
• TPSA: 361.92 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 78
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3030.14
LogP ≤ 5	34.61
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

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 [3-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]-2-hydroxypropyl]-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;11-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]undecyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[8-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]octyl]azanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[11-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]undecyl]azanium;[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?

The IUPAC name of [3-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]-2-hydroxypropyl]-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;11-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]undecyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[8-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]octyl]azanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[11-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]undecyl]azanium;[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate (CID 159172134) is [3-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]-2-hydroxypropyl]-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;11-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]undecyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[8-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]octyl]azanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[11-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]undecyl]azanium;[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate.

What is the SMILES notation for [3-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]-2-hydroxypropyl]-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;11-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]undecyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[8-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]octyl]azanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[11-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]undecyl]azanium;[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?

The canonical SMILES for [3-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]-2-hydroxypropyl]-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;11-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]undecyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[8-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]octyl]azanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[11-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]undecyl]azanium;[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate is COc1ccccc1COCCCCCC[N+](C)(C)CC(O)CN1CCC(OC(=O)NC(c2ccccc2)c2ccccc2)CC1.C[N+](C)(CCCCCCCCCCCN1CCC(OC(=O)NC(c2ccccc2)c2ccccc2)CC1)CCN1C(=O)c2ccccc2C1=O.C[N+](C)(CCCCCCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)CCCN1C(=O)c2ccccc2C1=O.C[N+](C)(CCCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)CCCN1C(=O)c2ccccc2C1=O.O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCN2CCCC2)CC1.

What is the InChIKey of [3-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]-2-hydroxypropyl]-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;11-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]undecyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[8-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]octyl]azanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[11-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]undecyl]azanium;[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?

The InChIKey is AYVOTGDCFURDAP-UHFFFAOYSA-R. The full InChI is InChI=1S/2C42H56N4O4.C39H50N4O4.C38H53N3O5.C24H31N3O2/c1-46(2,33-31-45-40(47)37-24-16-17-25-38(37)41(45)48)32-19-9-7-5-3-4-6-8-18-28-44-29-26-36(27-30-44)50-42(49)43-39(34-20-12-10-13-21-34)35-22-14-11-15-23-35;1-46(2,33-19-29-45-40(47)37-23-13-14-24-38(37)41(45)48)32-18-9-7-5-3-4-6-8-17-28-44-30-26-35(27-31-44)50-42(49)43-39-25-16-15-22-36(39)34-20-11-10-12-21-34;1-43(2,30-16-26-42-37(44)34-20-10-11-21-35(34)38(42)45)29-15-6-4-3-5-14-25-41-27-23-32(24-28-41)47-39(46)40-36-22-13-12-19-33(36)31-17-8-7-9-18-31;1-41(2,26-14-4-5-15-27-45-30-33-20-12-13-21-36(33)44-3)29-34(42)28-40-24-22-35(23-25-40)46-38(43)39-37(31-16-8-6-9-17-31)32-18-10-7-11-19-32;28-24(25-23-11-5-4-10-22(23)20-8-2-1-3-9-20)29-21-12-16-27(17-13-21)19-18-26-14-6-7-15-26/h10-17,20-25,36,39H,3-9,18-19,26-33H2,1-2H3;10-16,20-25,35H,3-9,17-19,26-33H2,1-2H3;7-13,17-22,32H,3-6,14-16,23-30H2,1-2H3;6-13,16-21,34-35,37,42H,4-5,14-15,22-30H2,1-3H3;1-5,8-11,21H,6-7,12-19H2,(H,25,28)/p+4.

What are the key properties of [3-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]-2-hydroxypropyl]-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;11-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]undecyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[8-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]octyl]azanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[11-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]undecyl]azanium;[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?

[3-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]-2-hydroxypropyl]-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;11-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]undecyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[8-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]octyl]azanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[11-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]undecyl]azanium;[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate has a molecular weight of 3030.14 g/mol, XLogP of 34.61, 78 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]-2-hydroxypropyl]-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;11-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]undecyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[8-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]octyl]azanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[11-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]undecyl]azanium;[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 159172134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).