2-[1-[2-[benzyl(methyl)amino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[2-[methyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]amino]ethyl]azanium;ethyl-dimethyl-[7-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]heptyl]azanium;6-[(2-methoxyphenyl)methoxy]hexyl-dimethyl-[2-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethoxycarbonyloxy]ethyl]azanium

C132H177N14O14+3 — CID 159572164

About 2-[1-[2-[benzyl(methyl)amino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[2-[methyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]amino]ethyl]azanium;ethyl-dimethyl-[7-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]heptyl]azanium;6-[(2-methoxyphenyl)methoxy]hexyl-dimethyl-[2-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethoxycarbonyloxy]ethyl]azanium

2-[1-[2-[benzyl(methyl)amino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[2-[methyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]amino]ethyl]azanium;ethyl-dimethyl-[7-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]heptyl]azanium;6-[(2-methoxyphenyl)methoxy]hexyl-dimethyl-[2-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethoxycarbonyloxy]ethyl]azanium (PubChem CID 159572164) has the molecular formula C132H177N14O14+3 and a molecular weight of 2183.95 g/mol. Its IUPAC name is 2-[1-[2-[benzyl(methyl)amino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[2-[methyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]amino]ethyl]azanium;ethyl-dimethyl-[7-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]heptyl]azanium;6-[(2-methoxyphenyl)methoxy]hexyl-dimethyl-[2-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethoxycarbonyloxy]ethyl]azanium.

Molecular Properties

• Compound Name: 2-[1-[2-[benzyl(methyl)amino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[2-[methyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]amino]ethyl]azanium;ethyl-dimethyl-[7-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]heptyl]azanium;6-[(2-methoxyphenyl)methoxy]hexyl-dimethyl-[2-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethoxycarbonyloxy]ethyl]azanium
• PubChem CID: 159572164
• Molecular Formula: C132H177N14O14+3
• Molecular Weight: 2183.95 g/mol
• Exact Mass: 2182.36
• IUPAC Name: 2-[1-[2-[benzyl(methyl)amino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[2-[methyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]amino]ethyl]azanium;ethyl-dimethyl-[7-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]heptyl]azanium;6-[(2-methoxyphenyl)methoxy]hexyl-dimethyl-[2-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethoxycarbonyloxy]ethyl]azanium
• SMILES: CC[N+](C)(C)CCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.CN(CCN1CCC(C(C(N)=O)(c2ccccc2)c2ccccc2)C1)Cc1ccccc1.CN(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)CC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O.COc1ccccc1COCCCCCC[N+](C)(C)CCOC(=O)OCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1
• InChI: InChI=1S/C39H53N3O7.C36H45N5O4.C29H43N3O2.C28H33N3O/c1-42(2,26-13-4-5-14-28-46-31-33-17-9-12-20-37(33)45-3)27-30-48-39(44)47-29-25-41-23-21-34(22-24-41)49-38(43)40-36-19-11-10-18-35(36)32-15-7-6-8-16-32;1-38(25-27-41(2,3)26-11-20-40-34(42)31-15-7-8-16-32(31)35(40)43)23-24-39-21-18-29(19-22-39)45-36(44)37-33-17-10-9-14-30(33)28-12-5-4-6-13-28;1-4-32(2,3)24-14-7-5-6-13-21-31-22-19-26(20-23-31)34-29(33)30-28-18-12-11-17-27(28)25-15-9-8-10-16-25;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/h6-12,15-20,34H,4-5,13-14,21-31H2,1-3H3;4-10,12-17,29H,11,18-27H2,1-3H3;8-12,15-18,26H,4-7,13-14,19-24H2,1-3H3;2-16,26H,17-22H2,1H3,(H2,29,32)/p+3
• InChIKey: UWQFLANPWFBVQS-UHFFFAOYSA-Q
• XLogP: 22.77
• TPSA: 268.89 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 53
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2183.95
LogP ≤ 5	22.77
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

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 2-[1-[2-[benzyl(methyl)amino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[2-[methyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]amino]ethyl]azanium;ethyl-dimethyl-[7-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]heptyl]azanium;6-[(2-methoxyphenyl)methoxy]hexyl-dimethyl-[2-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethoxycarbonyloxy]ethyl]azanium?

The IUPAC name of 2-[1-[2-[benzyl(methyl)amino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[2-[methyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]amino]ethyl]azanium;ethyl-dimethyl-[7-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]heptyl]azanium;6-[(2-methoxyphenyl)methoxy]hexyl-dimethyl-[2-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethoxycarbonyloxy]ethyl]azanium (CID 159572164) is 2-[1-[2-[benzyl(methyl)amino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[2-[methyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]amino]ethyl]azanium;ethyl-dimethyl-[7-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]heptyl]azanium;6-[(2-methoxyphenyl)methoxy]hexyl-dimethyl-[2-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethoxycarbonyloxy]ethyl]azanium.

What is the SMILES notation for 2-[1-[2-[benzyl(methyl)amino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[2-[methyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]amino]ethyl]azanium;ethyl-dimethyl-[7-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]heptyl]azanium;6-[(2-methoxyphenyl)methoxy]hexyl-dimethyl-[2-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethoxycarbonyloxy]ethyl]azanium?

The canonical SMILES for 2-[1-[2-[benzyl(methyl)amino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[2-[methyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]amino]ethyl]azanium;ethyl-dimethyl-[7-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]heptyl]azanium;6-[(2-methoxyphenyl)methoxy]hexyl-dimethyl-[2-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethoxycarbonyloxy]ethyl]azanium is CC[N+](C)(C)CCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.CN(CCN1CCC(C(C(N)=O)(c2ccccc2)c2ccccc2)C1)Cc1ccccc1.CN(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)CC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O.COc1ccccc1COCCCCCC[N+](C)(C)CCOC(=O)OCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.

What is the InChIKey of 2-[1-[2-[benzyl(methyl)amino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[2-[methyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]amino]ethyl]azanium;ethyl-dimethyl-[7-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]heptyl]azanium;6-[(2-methoxyphenyl)methoxy]hexyl-dimethyl-[2-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethoxycarbonyloxy]ethyl]azanium?

The InChIKey is UWQFLANPWFBVQS-UHFFFAOYSA-Q. The full InChI is InChI=1S/C39H53N3O7.C36H45N5O4.C29H43N3O2.C28H33N3O/c1-42(2,26-13-4-5-14-28-46-31-33-17-9-12-20-37(33)45-3)27-30-48-39(44)47-29-25-41-23-21-34(22-24-41)49-38(43)40-36-19-11-10-18-35(36)32-15-7-6-8-16-32;1-38(25-27-41(2,3)26-11-20-40-34(42)31-15-7-8-16-32(31)35(40)43)23-24-39-21-18-29(19-22-39)45-36(44)37-33-17-10-9-14-30(33)28-12-5-4-6-13-28;1-4-32(2,3)24-14-7-5-6-13-21-31-22-19-26(20-23-31)34-29(33)30-28-18-12-11-17-27(28)25-15-9-8-10-16-25;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/h6-12,15-20,34H,4-5,13-14,21-31H2,1-3H3;4-10,12-17,29H,11,18-27H2,1-3H3;8-12,15-18,26H,4-7,13-14,19-24H2,1-3H3;2-16,26H,17-22H2,1H3,(H2,29,32)/p+3.

What are the key properties of 2-[1-[2-[benzyl(methyl)amino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[2-[methyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]amino]ethyl]azanium;ethyl-dimethyl-[7-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]heptyl]azanium;6-[(2-methoxyphenyl)methoxy]hexyl-dimethyl-[2-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethoxycarbonyloxy]ethyl]azanium?

2-[1-[2-[benzyl(methyl)amino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[2-[methyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]amino]ethyl]azanium;ethyl-dimethyl-[7-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]heptyl]azanium;6-[(2-methoxyphenyl)methoxy]hexyl-dimethyl-[2-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethoxycarbonyloxy]ethyl]azanium has a molecular weight of 2183.95 g/mol, XLogP of 22.77, 53 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2-[benzyl(methyl)amino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[2-[methyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]amino]ethyl]azanium;ethyl-dimethyl-[7-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]heptyl]azanium;6-[(2-methoxyphenyl)methoxy]hexyl-dimethyl-[2-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethoxycarbonyloxy]ethyl]azanium is sourced from PubChem (CID 159572164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).