[3-[[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]methyl]phenyl]methyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;5-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]pentyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;[1-[9-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]nonyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[2-[methyl(2-morpholin-4-ylethyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

C146H191N15O15+2 — CID 160514905

IUPAC[3-[[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]methyl]phenyl]methyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;5-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]pentyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;[1-[9-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]nonyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[2-[methyl(2-morpholin-4-ylethyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
SMILESCN(CCCCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)CCN1C(=O)c2ccccc2C1=O.CN(CCN1CCOCC1)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.COc1ccccc1COCCCCCC[N+](C)(C)CCCCCN1CCC(OC(=O)NC(c2ccccc2)c2ccccc2)CC1.C[N+](C)(CCCCN1C(=O)c2ccccc2C1=O)Cc1cccc(CN2CCC(OC(=O)NC(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C41H46N4O4.C40H57N3O4.C38H48N4O4.C27H38N4O3/c1-45(2,27-12-11-24-44-39(46)36-20-9-10-21-37(36)40(44)47)30-32-15-13-14-31(28-32)29-43-25-22-35(23-26-43)49-41(48)42-38(33-16-5-3-6-17-33)34-18-7-4-8-19-34;1-43(2,30-16-4-5-18-32-46-33-36-23-13-14-24-38(36)45-3)31-17-8-15-27-42-28-25-37(26-29-42)47-40(44)41-39(34-19-9-6-10-20-34)35-21-11-7-12-22-35;1-40(28-29-42-36(43)33-19-10-11-20-34(33)37(42)44)24-14-5-3-2-4-6-15-25-41-26-22-31(23-27-41)46-38(45)39-35-21-13-12-18-32(35)30-16-8-7-9-17-30;1-29(16-18-31-19-21-33-22-20-31)15-17-30-13-11-24(12-14-30)34-27(32)28-26-10-6-5-9-25(26)23-7-3-2-4-8-23/h3-10,13-21,28,35,38H,11-12,22-27,29-30H2,1-2H3;6-7,9-14,19-24,37,39H,4-5,8,15-18,25-33H2,1-3H3;7-13,16-21,31H,2-6,14-15,22-29H2,1H3,(H,39,45);2-10,24H,11-22H2,1H3,(H,28,32)/p+2
InChIKeyQECQJYLNDUPQMT-UHFFFAOYSA-P
MW2396.22 g/mol
LogP25.77
Rot. Bonds58

About [3-[[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]methyl]phenyl]methyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;5-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]pentyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;[1-[9-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]nonyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[2-[methyl(2-morpholin-4-ylethyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

[3-[[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]methyl]phenyl]methyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;5-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]pentyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;[1-[9-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]nonyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[2-[methyl(2-morpholin-4-ylethyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (PubChem CID 160514905) has the molecular formula C146H191N15O15+2 and a molecular weight of 2396.22 g/mol. Its IUPAC name is [3-[[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]methyl]phenyl]methyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;5-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]pentyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;[1-[9-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]nonyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[2-[methyl(2-morpholin-4-ylethyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.

Molecular Properties

Compound Name[3-[[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]methyl]phenyl]methyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;5-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]pentyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;[1-[9-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]nonyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[2-[methyl(2-morpholin-4-ylethyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
PubChem CID160514905
Molecular FormulaC146H191N15O15+2
Molecular Weight2396.22 g/mol
Exact Mass2394.46
IUPAC Name[3-[[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]methyl]phenyl]methyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;5-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]pentyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;[1-[9-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]nonyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[2-[methyl(2-morpholin-4-ylethyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
SMILESCN(CCCCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)CCN1C(=O)c2ccccc2C1=O.CN(CCN1CCOCC1)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.COc1ccccc1COCCCCCC[N+](C)(C)CCCCCN1CCC(OC(=O)NC(c2ccccc2)c2ccccc2)CC1.C[N+](C)(CCCCN1C(=O)c2ccccc2C1=O)Cc1cccc(CN2CCC(OC(=O)NC(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C41H46N4O4.C40H57N3O4.C38H48N4O4.C27H38N4O3/c1-45(2,27-12-11-24-44-39(46)36-20-9-10-21-37(36)40(44)47)30-32-15-13-14-31(28-32)29-43-25-22-35(23-26-43)49-41(48)42-38(33-16-5-3-6-17-33)34-18-7-4-8-19-34;1-43(2,30-16-4-5-18-32-46-33-36-23-13-14-24-38(36)45-3)31-17-8-15-27-42-28-25-37(26-29-42)47-40(44)41-39(34-19-9-6-10-20-34)35-21-11-7-12-22-35;1-40(28-29-42-36(43)33-19-10-11-20-34(33)37(42)44)24-14-5-3-2-4-6-15-25-41-26-22-31(23-27-41)46-38(45)39-35-21-13-12-18-32(35)30-16-8-7-9-17-30;1-29(16-18-31-19-21-33-22-20-31)15-17-30-13-11-24(12-14-30)34-27(32)28-26-10-6-5-9-25(26)23-7-3-2-4-8-23/h3-10,13-21,28,35,38H,11-12,22-27,29-30H2,1-2H3;6-7,9-14,19-24,37,39H,4-5,8,15-18,25-33H2,1-3H3;7-13,16-21,31H,2-6,14-15,22-29H2,1H3,(H,39,45);2-10,24H,11-22H2,1H3,(H,28,32)/p+2
InChIKeyQECQJYLNDUPQMT-UHFFFAOYSA-P
XLogP25.77
TPSA278.45 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds58
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002396.22
LogP ≤ 525.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

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'}

Analyze [3-[[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]methyl]phenyl]methyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;5-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]pentyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;[1-[9-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]nonyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[2-[methyl(2-morpholin-4-ylethyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]methyl]phenyl]methyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;5-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]pentyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;[1-[9-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]nonyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[2-[methyl(2-morpholin-4-ylethyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The IUPAC name of [3-[[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]methyl]phenyl]methyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;5-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]pentyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;[1-[9-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]nonyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[2-[methyl(2-morpholin-4-ylethyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (CID 160514905) is [3-[[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]methyl]phenyl]methyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;5-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]pentyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;[1-[9-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]nonyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[2-[methyl(2-morpholin-4-ylethyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.
What is the SMILES notation for [3-[[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]methyl]phenyl]methyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;5-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]pentyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;[1-[9-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]nonyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[2-[methyl(2-morpholin-4-ylethyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The canonical SMILES for [3-[[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]methyl]phenyl]methyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;5-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]pentyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;[1-[9-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]nonyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[2-[methyl(2-morpholin-4-ylethyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is CN(CCCCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)CCN1C(=O)c2ccccc2C1=O.CN(CCN1CCOCC1)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.COc1ccccc1COCCCCCC[N+](C)(C)CCCCCN1CCC(OC(=O)NC(c2ccccc2)c2ccccc2)CC1.C[N+](C)(CCCCN1C(=O)c2ccccc2C1=O)Cc1cccc(CN2CCC(OC(=O)NC(c3ccccc3)c3ccccc3)CC2)c1.
What is the InChIKey of [3-[[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]methyl]phenyl]methyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;5-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]pentyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;[1-[9-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]nonyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[2-[methyl(2-morpholin-4-ylethyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The InChIKey is QECQJYLNDUPQMT-UHFFFAOYSA-P. The full InChI is InChI=1S/C41H46N4O4.C40H57N3O4.C38H48N4O4.C27H38N4O3/c1-45(2,27-12-11-24-44-39(46)36-20-9-10-21-37(36)40(44)47)30-32-15-13-14-31(28-32)29-43-25-22-35(23-26-43)49-41(48)42-38(33-16-5-3-6-17-33)34-18-7-4-8-19-34;1-43(2,30-16-4-5-18-32-46-33-36-23-13-14-24-38(36)45-3)31-17-8-15-27-42-28-25-37(26-29-42)47-40(44)41-39(34-19-9-6-10-20-34)35-21-11-7-12-22-35;1-40(28-29-42-36(43)33-19-10-11-20-34(33)37(42)44)24-14-5-3-2-4-6-15-25-41-26-22-31(23-27-41)46-38(45)39-35-21-13-12-18-32(35)30-16-8-7-9-17-30;1-29(16-18-31-19-21-33-22-20-31)15-17-30-13-11-24(12-14-30)34-27(32)28-26-10-6-5-9-25(26)23-7-3-2-4-8-23/h3-10,13-21,28,35,38H,11-12,22-27,29-30H2,1-2H3;6-7,9-14,19-24,37,39H,4-5,8,15-18,25-33H2,1-3H3;7-13,16-21,31H,2-6,14-15,22-29H2,1H3,(H,39,45);2-10,24H,11-22H2,1H3,(H,28,32)/p+2.
What are the key properties of [3-[[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]methyl]phenyl]methyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;5-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]pentyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;[1-[9-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]nonyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[2-[methyl(2-morpholin-4-ylethyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?
[3-[[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]methyl]phenyl]methyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;5-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]pentyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;[1-[9-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]nonyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[2-[methyl(2-morpholin-4-ylethyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate has a molecular weight of 2396.22 g/mol, XLogP of 25.77, 58 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]methyl]phenyl]methyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;5-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]pentyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;[1-[9-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]nonyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[2-[methyl(2-morpholin-4-ylethyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 160514905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).