9-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]nonyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;2-[1-[2-[benzyl(methyl)amino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;2-(1,3-dioxoisoindol-2-yl)ethyl-dimethyl-[2-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethoxy]ethyl]azanium;6-[(2-methoxyphenyl)methoxy]hexyl-dimethyl-[(1S,4R)-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]cyclobut-2-en-1-yl]azanium;[1-[2-[methyl(3-phenylpropyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

C171H216N17O15+3 — CID 158333978

About 9-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]nonyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;2-[1-[2-[benzyl(methyl)amino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;2-(1,3-dioxoisoindol-2-yl)ethyl-dimethyl-[2-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethoxy]ethyl]azanium;6-[(2-methoxyphenyl)methoxy]hexyl-dimethyl-[(1S,4R)-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]cyclobut-2-en-1-yl]azanium;[1-[2-[methyl(3-phenylpropyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

9-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]nonyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;2-[1-[2-[benzyl(methyl)amino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;2-(1,3-dioxoisoindol-2-yl)ethyl-dimethyl-[2-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethoxy]ethyl]azanium;6-[(2-methoxyphenyl)methoxy]hexyl-dimethyl-[(1S,4R)-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]cyclobut-2-en-1-yl]azanium;[1-[2-[methyl(3-phenylpropyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (PubChem CID 158333978) has the molecular formula C171H216N17O15+3 and a molecular weight of 2749.71 g/mol. Its IUPAC name is 9-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]nonyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;2-[1-[2-[benzyl(methyl)amino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;2-(1,3-dioxoisoindol-2-yl)ethyl-dimethyl-[2-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethoxy]ethyl]azanium;6-[(2-methoxyphenyl)methoxy]hexyl-dimethyl-[(1S,4R)-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]cyclobut-2-en-1-yl]azanium;[1-[2-[methyl(3-phenylpropyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.

Molecular Properties

• Compound Name: 9-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]nonyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;2-[1-[2-[benzyl(methyl)amino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;2-(1,3-dioxoisoindol-2-yl)ethyl-dimethyl-[2-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethoxy]ethyl]azanium;6-[(2-methoxyphenyl)methoxy]hexyl-dimethyl-[(1S,4R)-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]cyclobut-2-en-1-yl]azanium;[1-[2-[methyl(3-phenylpropyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
• PubChem CID: 158333978
• Molecular Formula: C171H216N17O15+3
• Molecular Weight: 2749.71 g/mol
• Exact Mass: 2747.66
• IUPAC Name: 9-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]nonyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;2-[1-[2-[benzyl(methyl)amino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;2-(1,3-dioxoisoindol-2-yl)ethyl-dimethyl-[2-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethoxy]ethyl]azanium;6-[(2-methoxyphenyl)methoxy]hexyl-dimethyl-[(1S,4R)-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]cyclobut-2-en-1-yl]azanium;[1-[2-[methyl(3-phenylpropyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
• SMILES: CN(CCCc1ccccc1)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.CN(CCN1CCC(C(C(N)=O)(c2ccccc2)c2ccccc2)C1)Cc1ccccc1.COc1ccccc1COCCCCCC[N+](C)(C)[C@H]1C=C[C@H]1N1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.C[N+](C)(CCCCCCCCCN1CCC(C(C(N)=O)(c2ccccc2)c2ccccc2)C1)CCCCN1C(=O)c2ccccc2C1=O.C[N+](C)(CCOCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)CCN1C(=O)c2ccccc2C1=O
• InChI: InChI=1S/C41H54N4O3.C38H49N3O4.C34H40N4O5.C30H37N3O2.C28H33N3O/c1-45(2,31-19-17-28-44-38(46)36-24-14-15-25-37(36)39(44)47)30-18-7-5-3-4-6-16-27-43-29-26-35(32-43)41(40(42)48,33-20-10-8-11-21-33)34-22-12-9-13-23-34;1-41(2,27-13-4-5-14-28-44-29-31-17-9-12-20-37(31)43-3)36-22-21-35(36)40-25-23-32(24-26-40)45-38(42)39-34-19-11-10-18-33(34)30-15-7-6-8-16-30;1-38(2,22-20-37-32(39)29-13-6-7-14-30(29)33(37)40)23-25-42-24-21-36-18-16-27(17-19-36)43-34(41)35-31-15-9-8-12-28(31)26-10-4-3-5-11-26;1-32(20-10-13-25-11-4-2-5-12-25)23-24-33-21-18-27(19-22-33)35-30(34)31-29-17-9-8-16-28(29)26-14-6-3-7-15-26;1-30(21-23-11-5-2-6-12-23)19-20-31-18-17-26(22-31)28(27(29)32,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h8-15,20-25,35H,3-7,16-19,26-32H2,1-2H3,(H-,42,48);6-12,15-22,32,35-36H,4-5,13-14,23-29H2,1-3H3;3-15,27H,16-25H2,1-2H3;2-9,11-12,14-17,27H,10,13,18-24H2,1H3,(H,31,34);2-16,26H,17-22H2,1H3,(H2,29,32)/p+3/t;35-,36+;;;/m.1.../s1
• InChIKey: DFOYXVNJUQRQHC-CJMAXGNQSA-Q
• XLogP: 28.80
• TPSA: 326.30 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 65
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2749.71
LogP ≤ 5	28.80
H-Bond Donors ≤ 5	5
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': '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 9-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]nonyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;2-[1-[2-[benzyl(methyl)amino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;2-(1,3-dioxoisoindol-2-yl)ethyl-dimethyl-[2-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethoxy]ethyl]azanium;6-[(2-methoxyphenyl)methoxy]hexyl-dimethyl-[(1S,4R)-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]cyclobut-2-en-1-yl]azanium;[1-[2-[methyl(3-phenylpropyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

The IUPAC name of 9-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]nonyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;2-[1-[2-[benzyl(methyl)amino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;2-(1,3-dioxoisoindol-2-yl)ethyl-dimethyl-[2-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethoxy]ethyl]azanium;6-[(2-methoxyphenyl)methoxy]hexyl-dimethyl-[(1S,4R)-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]cyclobut-2-en-1-yl]azanium;[1-[2-[methyl(3-phenylpropyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (CID 158333978) is 9-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]nonyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;2-[1-[2-[benzyl(methyl)amino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;2-(1,3-dioxoisoindol-2-yl)ethyl-dimethyl-[2-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethoxy]ethyl]azanium;6-[(2-methoxyphenyl)methoxy]hexyl-dimethyl-[(1S,4R)-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]cyclobut-2-en-1-yl]azanium;[1-[2-[methyl(3-phenylpropyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.

What is the SMILES notation for 9-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]nonyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;2-[1-[2-[benzyl(methyl)amino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;2-(1,3-dioxoisoindol-2-yl)ethyl-dimethyl-[2-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethoxy]ethyl]azanium;6-[(2-methoxyphenyl)methoxy]hexyl-dimethyl-[(1S,4R)-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]cyclobut-2-en-1-yl]azanium;[1-[2-[methyl(3-phenylpropyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

The canonical SMILES for 9-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]nonyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;2-[1-[2-[benzyl(methyl)amino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;2-(1,3-dioxoisoindol-2-yl)ethyl-dimethyl-[2-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethoxy]ethyl]azanium;6-[(2-methoxyphenyl)methoxy]hexyl-dimethyl-[(1S,4R)-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]cyclobut-2-en-1-yl]azanium;[1-[2-[methyl(3-phenylpropyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is CN(CCCc1ccccc1)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.CN(CCN1CCC(C(C(N)=O)(c2ccccc2)c2ccccc2)C1)Cc1ccccc1.COc1ccccc1COCCCCCC[N+](C)(C)[C@H]1C=C[C@H]1N1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.C[N+](C)(CCCCCCCCCN1CCC(C(C(N)=O)(c2ccccc2)c2ccccc2)C1)CCCCN1C(=O)c2ccccc2C1=O.C[N+](C)(CCOCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)CCN1C(=O)c2ccccc2C1=O.

What is the InChIKey of 9-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]nonyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;2-[1-[2-[benzyl(methyl)amino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;2-(1,3-dioxoisoindol-2-yl)ethyl-dimethyl-[2-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethoxy]ethyl]azanium;6-[(2-methoxyphenyl)methoxy]hexyl-dimethyl-[(1S,4R)-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]cyclobut-2-en-1-yl]azanium;[1-[2-[methyl(3-phenylpropyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

The InChIKey is DFOYXVNJUQRQHC-CJMAXGNQSA-Q. The full InChI is InChI=1S/C41H54N4O3.C38H49N3O4.C34H40N4O5.C30H37N3O2.C28H33N3O/c1-45(2,31-19-17-28-44-38(46)36-24-14-15-25-37(36)39(44)47)30-18-7-5-3-4-6-16-27-43-29-26-35(32-43)41(40(42)48,33-20-10-8-11-21-33)34-22-12-9-13-23-34;1-41(2,27-13-4-5-14-28-44-29-31-17-9-12-20-37(31)43-3)36-22-21-35(36)40-25-23-32(24-26-40)45-38(42)39-34-19-11-10-18-33(34)30-15-7-6-8-16-30;1-38(2,22-20-37-32(39)29-13-6-7-14-30(29)33(37)40)23-25-42-24-21-36-18-16-27(17-19-36)43-34(41)35-31-15-9-8-12-28(31)26-10-4-3-5-11-26;1-32(20-10-13-25-11-4-2-5-12-25)23-24-33-21-18-27(19-22-33)35-30(34)31-29-17-9-8-16-28(29)26-14-6-3-7-15-26;1-30(21-23-11-5-2-6-12-23)19-20-31-18-17-26(22-31)28(27(29)32,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h8-15,20-25,35H,3-7,16-19,26-32H2,1-2H3,(H-,42,48);6-12,15-22,32,35-36H,4-5,13-14,23-29H2,1-3H3;3-15,27H,16-25H2,1-2H3;2-9,11-12,14-17,27H,10,13,18-24H2,1H3,(H,31,34);2-16,26H,17-22H2,1H3,(H2,29,32)/p+3/t;35-,36+;;;/m.1.../s1.

What are the key properties of 9-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]nonyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;2-[1-[2-[benzyl(methyl)amino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;2-(1,3-dioxoisoindol-2-yl)ethyl-dimethyl-[2-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethoxy]ethyl]azanium;6-[(2-methoxyphenyl)methoxy]hexyl-dimethyl-[(1S,4R)-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]cyclobut-2-en-1-yl]azanium;[1-[2-[methyl(3-phenylpropyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

9-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]nonyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;2-[1-[2-[benzyl(methyl)amino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;2-(1,3-dioxoisoindol-2-yl)ethyl-dimethyl-[2-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethoxy]ethyl]azanium;6-[(2-methoxyphenyl)methoxy]hexyl-dimethyl-[(1S,4R)-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]cyclobut-2-en-1-yl]azanium;[1-[2-[methyl(3-phenylpropyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate has a molecular weight of 2749.71 g/mol, XLogP of 28.80, 65 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]nonyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;2-[1-[2-[benzyl(methyl)amino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;2-(1,3-dioxoisoindol-2-yl)ethyl-dimethyl-[2-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethoxy]ethyl]azanium;6-[(2-methoxyphenyl)methoxy]hexyl-dimethyl-[(1S,4R)-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]cyclobut-2-en-1-yl]azanium;[1-[2-[methyl(3-phenylpropyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 158333978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).