2-[2-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]ethyl-methylamino]ethyl-[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium;[1-[[4-[[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl] N-benzhydrylcarbamate;[1-[2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[3-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]propyl]azanium

C156H185N17O14+2 — CID 157389054

About 2-[2-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]ethyl-methylamino]ethyl-[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium;[1-[[4-[[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl] N-benzhydrylcarbamate;[1-[2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[3-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]propyl]azanium

2-[2-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]ethyl-methylamino]ethyl-[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium;[1-[[4-[[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl] N-benzhydrylcarbamate;[1-[2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[3-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]propyl]azanium (PubChem CID 157389054) has the molecular formula C156H185N17O14+2 and a molecular weight of 2522.30 g/mol. Its IUPAC name is 2-[2-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]ethyl-methylamino]ethyl-[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium;[1-[[4-[[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl] N-benzhydrylcarbamate;[1-[2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[3-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]propyl]azanium.

Molecular Properties

• Compound Name: 2-[2-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]ethyl-methylamino]ethyl-[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium;[1-[[4-[[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl] N-benzhydrylcarbamate;[1-[2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[3-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]propyl]azanium
• PubChem CID: 157389054
• Molecular Formula: C156H185N17O14+2
• Molecular Weight: 2522.30 g/mol
• Exact Mass: 2520.43
• IUPAC Name: 2-[2-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]ethyl-methylamino]ethyl-[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium;[1-[[4-[[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl] N-benzhydrylcarbamate;[1-[2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[3-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]propyl]azanium
• SMILES: CN(CCCN1c2ccccc2CCc2ccccc21)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.CN(CCN1CCC(OC(=O)NC(c2ccccc2)c2ccccc2)CC1)CC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O.C[N+](C)(CCCCN1C(=O)c2ccccc2C1=O)CCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.O=C(NC(c1ccccc1)c1ccccc1)OC1CCN(Cc2ccc(CN3CCC(OC(=O)NC(c4ccccc4)c4ccccc4)CC3)cc2)CC1
• InChI: InChI=1S/C46H50N4O4.C38H44N4O2.C37H47N5O4.C35H42N4O4/c51-45(47-43(37-13-5-1-6-14-37)38-15-7-2-8-16-38)53-41-25-29-49(30-26-41)33-35-21-23-36(24-22-35)34-50-31-27-42(28-32-50)54-46(52)48-44(39-17-9-3-10-18-39)40-19-11-4-12-20-40;1-40(24-11-25-42-36-18-9-5-14-31(36)20-21-32-15-6-10-19-37(32)42)28-29-41-26-22-33(23-27-41)44-38(43)39-35-17-8-7-16-34(35)30-12-3-2-4-13-30;1-39(26-28-42(2,3)27-12-21-41-35(43)32-17-10-11-18-33(32)36(41)44)24-25-40-22-19-31(20-23-40)46-37(45)38-34(29-13-6-4-7-14-29)30-15-8-5-9-16-30;1-39(2,25-11-10-22-38-33(40)30-16-6-7-17-31(30)34(38)41)26-12-21-37-23-19-28(20-24-37)43-35(42)36-32-18-9-8-15-29(32)27-13-4-3-5-14-27/h1-24,41-44H,25-34H2,(H,47,51)(H,48,52);2-10,12-19,33H,11,20-29H2,1H3,(H,39,43);4-11,13-18,31,34H,12,19-28H2,1-3H3;3-9,13-18,28H,10-12,19-26H2,1-2H3/p+2
• InChIKey: BLTXSTYJRAJHAY-UHFFFAOYSA-P
• XLogP: 26.84
• TPSA: 292.33 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 48
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2522.30
LogP ≤ 5	26.84
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': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]ethyl-methylamino]ethyl-[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium;[1-[[4-[[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl] N-benzhydrylcarbamate;[1-[2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[3-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]propyl]azanium?

The IUPAC name of 2-[2-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]ethyl-methylamino]ethyl-[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium;[1-[[4-[[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl] N-benzhydrylcarbamate;[1-[2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[3-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]propyl]azanium (CID 157389054) is 2-[2-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]ethyl-methylamino]ethyl-[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium;[1-[[4-[[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl] N-benzhydrylcarbamate;[1-[2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[3-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]propyl]azanium.

What is the SMILES notation for 2-[2-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]ethyl-methylamino]ethyl-[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium;[1-[[4-[[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl] N-benzhydrylcarbamate;[1-[2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[3-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]propyl]azanium?

The canonical SMILES for 2-[2-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]ethyl-methylamino]ethyl-[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium;[1-[[4-[[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl] N-benzhydrylcarbamate;[1-[2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[3-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]propyl]azanium is CN(CCCN1c2ccccc2CCc2ccccc21)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.CN(CCN1CCC(OC(=O)NC(c2ccccc2)c2ccccc2)CC1)CC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O.C[N+](C)(CCCCN1C(=O)c2ccccc2C1=O)CCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.O=C(NC(c1ccccc1)c1ccccc1)OC1CCN(Cc2ccc(CN3CCC(OC(=O)NC(c4ccccc4)c4ccccc4)CC3)cc2)CC1.

What is the InChIKey of 2-[2-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]ethyl-methylamino]ethyl-[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium;[1-[[4-[[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl] N-benzhydrylcarbamate;[1-[2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[3-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]propyl]azanium?

The InChIKey is BLTXSTYJRAJHAY-UHFFFAOYSA-P. The full InChI is InChI=1S/C46H50N4O4.C38H44N4O2.C37H47N5O4.C35H42N4O4/c51-45(47-43(37-13-5-1-6-14-37)38-15-7-2-8-16-38)53-41-25-29-49(30-26-41)33-35-21-23-36(24-22-35)34-50-31-27-42(28-32-50)54-46(52)48-44(39-17-9-3-10-18-39)40-19-11-4-12-20-40;1-40(24-11-25-42-36-18-9-5-14-31(36)20-21-32-15-6-10-19-37(32)42)28-29-41-26-22-33(23-27-41)44-38(43)39-35-17-8-7-16-34(35)30-12-3-2-4-13-30;1-39(26-28-42(2,3)27-12-21-41-35(43)32-17-10-11-18-33(32)36(41)44)24-25-40-22-19-31(20-23-40)46-37(45)38-34(29-13-6-4-7-14-29)30-15-8-5-9-16-30;1-39(2,25-11-10-22-38-33(40)30-16-6-7-17-31(30)34(38)41)26-12-21-37-23-19-28(20-24-37)43-35(42)36-32-18-9-8-15-29(32)27-13-4-3-5-14-27/h1-24,41-44H,25-34H2,(H,47,51)(H,48,52);2-10,12-19,33H,11,20-29H2,1H3,(H,39,43);4-11,13-18,31,34H,12,19-28H2,1-3H3;3-9,13-18,28H,10-12,19-26H2,1-2H3/p+2.

What are the key properties of 2-[2-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]ethyl-methylamino]ethyl-[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium;[1-[[4-[[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl] N-benzhydrylcarbamate;[1-[2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[3-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]propyl]azanium?

2-[2-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]ethyl-methylamino]ethyl-[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium;[1-[[4-[[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl] N-benzhydrylcarbamate;[1-[2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[3-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]propyl]azanium has a molecular weight of 2522.30 g/mol, XLogP of 26.84, 48 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]ethyl-methylamino]ethyl-[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium;[1-[[4-[[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl] N-benzhydrylcarbamate;[1-[2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[3-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]propyl]azanium is sourced from PubChem (CID 157389054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).