8-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]octyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;[1-[2-[dodecyl(methyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[2-[methyl(octadecyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-(2-morpholin-4-ylethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate

C138H207N12O10+ — CID 157135086

About 8-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]octyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;[1-[2-[dodecyl(methyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[2-[methyl(octadecyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-(2-morpholin-4-ylethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate

8-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]octyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;[1-[2-[dodecyl(methyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[2-[methyl(octadecyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-(2-morpholin-4-ylethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate (PubChem CID 157135086) has the molecular formula C138H207N12O10+ and a molecular weight of 2194.25 g/mol. Its IUPAC name is 8-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]octyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;[1-[2-[dodecyl(methyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[2-[methyl(octadecyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-(2-morpholin-4-ylethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate.

Molecular Properties

• Compound Name: 8-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]octyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;[1-[2-[dodecyl(methyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[2-[methyl(octadecyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-(2-morpholin-4-ylethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
• PubChem CID: 157135086
• Molecular Formula: C138H207N12O10+
• Molecular Weight: 2194.25 g/mol
• Exact Mass: 2192.61
• IUPAC Name: 8-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]octyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;[1-[2-[dodecyl(methyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[2-[methyl(octadecyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-(2-morpholin-4-ylethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
• SMILES: CCCCCCCCCCCCCCCCCCN(C)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.CCCCCCCCCCCCN(C)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.COc1ccccc1COCCCCCC[N+](C)(C)CCCCCCCCN1CCC(C(C(N)=O)(c2ccccc2)c2ccccc2)C1.O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCN2CCOCC2)CC1
• InChI: InChI=1S/C42H61N3O3.C39H63N3O2.C33H51N3O2.C24H31N3O3/c1-45(2,32-20-8-9-21-33-48-35-36-22-16-17-27-40(36)47-3)31-19-7-5-4-6-18-29-44-30-28-39(34-44)42(41(43)46,37-23-12-10-13-24-37)38-25-14-11-15-26-38;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-30-41(2)33-34-42-31-28-36(29-32-42)44-39(43)40-38-27-22-21-26-37(38)35-24-19-18-20-25-35;1-3-4-5-6-7-8-9-10-11-17-24-35(2)27-28-36-25-22-30(23-26-36)38-33(37)34-32-21-16-15-20-31(32)29-18-13-12-14-19-29;28-24(25-23-9-5-4-8-22(23)20-6-2-1-3-7-20)30-21-10-12-26(13-11-21)14-15-27-16-18-29-19-17-27/h10-17,22-27,39H,4-9,18-21,28-35H2,1-3H3,(H-,43,46);18-22,24-27,36H,3-17,23,28-34H2,1-2H3,(H,40,43);12-16,18-21,30H,3-11,17,22-28H2,1-2H3,(H,34,37);1-9,21H,10-19H2,(H,25,28)/p+1
• InChIKey: JJVKPUXXYCVLSL-UHFFFAOYSA-O
• XLogP: 30.46
• TPSA: 208.45 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 69
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2194.25
LogP ≤ 5	30.46
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]octyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;[1-[2-[dodecyl(methyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[2-[methyl(octadecyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-(2-morpholin-4-ylethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?

The IUPAC name of 8-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]octyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;[1-[2-[dodecyl(methyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[2-[methyl(octadecyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-(2-morpholin-4-ylethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate (CID 157135086) is 8-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]octyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;[1-[2-[dodecyl(methyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[2-[methyl(octadecyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-(2-morpholin-4-ylethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate.

What is the SMILES notation for 8-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]octyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;[1-[2-[dodecyl(methyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[2-[methyl(octadecyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-(2-morpholin-4-ylethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?

The canonical SMILES for 8-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]octyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;[1-[2-[dodecyl(methyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[2-[methyl(octadecyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-(2-morpholin-4-ylethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate is CCCCCCCCCCCCCCCCCCN(C)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.CCCCCCCCCCCCN(C)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.COc1ccccc1COCCCCCC[N+](C)(C)CCCCCCCCN1CCC(C(C(N)=O)(c2ccccc2)c2ccccc2)C1.O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCN2CCOCC2)CC1.

What is the InChIKey of 8-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]octyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;[1-[2-[dodecyl(methyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[2-[methyl(octadecyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-(2-morpholin-4-ylethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?

The InChIKey is JJVKPUXXYCVLSL-UHFFFAOYSA-O. The full InChI is InChI=1S/C42H61N3O3.C39H63N3O2.C33H51N3O2.C24H31N3O3/c1-45(2,32-20-8-9-21-33-48-35-36-22-16-17-27-40(36)47-3)31-19-7-5-4-6-18-29-44-30-28-39(34-44)42(41(43)46,37-23-12-10-13-24-37)38-25-14-11-15-26-38;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-30-41(2)33-34-42-31-28-36(29-32-42)44-39(43)40-38-27-22-21-26-37(38)35-24-19-18-20-25-35;1-3-4-5-6-7-8-9-10-11-17-24-35(2)27-28-36-25-22-30(23-26-36)38-33(37)34-32-21-16-15-20-31(32)29-18-13-12-14-19-29;28-24(25-23-9-5-4-8-22(23)20-6-2-1-3-7-20)30-21-10-12-26(13-11-21)14-15-27-16-18-29-19-17-27/h10-17,22-27,39H,4-9,18-21,28-35H2,1-3H3,(H-,43,46);18-22,24-27,36H,3-17,23,28-34H2,1-2H3,(H,40,43);12-16,18-21,30H,3-11,17,22-28H2,1-2H3,(H,34,37);1-9,21H,10-19H2,(H,25,28)/p+1.

What are the key properties of 8-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]octyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;[1-[2-[dodecyl(methyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[2-[methyl(octadecyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-(2-morpholin-4-ylethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?

8-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]octyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;[1-[2-[dodecyl(methyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[2-[methyl(octadecyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-(2-morpholin-4-ylethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate has a molecular weight of 2194.25 g/mol, XLogP of 30.46, 69 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]octyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;[1-[2-[dodecyl(methyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[2-[methyl(octadecyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-(2-morpholin-4-ylethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 157135086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).