9-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]nonyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;8-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]octyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;2-(5-methoxy-1H-indol-3-yl)ethyl-dimethyl-[9-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]nonyl]azanium;[1-[9-[methyl(2-pyridin-2-ylethyl)amino]nonyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;trimethyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]azanium

C179H243N19O15+4 — CID 159030583

IUPAC9-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]nonyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;8-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]octyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;2-(5-methoxy-1H-indol-3-yl)ethyl-dimethyl-[9-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]nonyl]azanium;[1-[9-[methyl(2-pyridin-2-ylethyl)amino]nonyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;trimethyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]azanium
SMILESCN(CCCCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)CCc1ccccn1.COc1ccc2[nH]cc(CC[N+](C)(C)CCCCCCCCCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2c1.C[N+](C)(C)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.C[N+](C)(CCCCCCCCCN1CCC(OC(=O)NC(c2ccccc2)c2ccccc2)CC1)CCCCN1C(=O)c2ccccc2C1=O.C[N+](C)(CCCCCCCCN1CCC(OC(=O)NC(c2ccccc2)c2ccccc2)CC1)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C42H56N4O4.C40H54N4O3.C39H50N4O4.C35H48N4O2.C23H31N3O2/c1-46(2,33-19-17-29-45-40(47)37-24-14-15-25-38(37)41(45)48)32-18-7-5-3-4-6-16-28-44-30-26-36(27-31-44)50-42(49)43-39(34-20-10-8-11-21-34)35-22-12-9-13-23-35;1-44(2,29-24-33-31-41-38-21-20-35(46-3)30-37(33)38)28-15-8-6-4-5-7-14-25-43-26-22-34(23-27-43)47-40(45)42-39-19-13-12-18-36(39)32-16-10-9-11-17-32;1-43(2,30-28-42-37(44)34-21-13-14-22-35(34)38(42)45)29-16-6-4-3-5-15-25-41-26-23-33(24-27-41)47-39(46)40-36(31-17-9-7-10-18-31)32-19-11-8-12-20-32;1-38(27-21-31-18-12-13-24-36-31)25-14-5-3-2-4-6-15-26-39-28-22-32(23-29-39)41-35(40)37-34-20-11-10-19-33(34)30-16-8-7-9-17-30;1-26(2,3)18-17-25-15-13-20(14-16-25)28-23(27)24-22-12-8-7-11-21(22)19-9-5-4-6-10-19/h8-15,20-25,36,39H,3-7,16-19,26-33H2,1-2H3;9-13,16-21,30-31,34,41H,4-8,14-15,22-29H2,1-3H3;7-14,17-22,33,36H,3-6,15-16,23-30H2,1-2H3;7-13,16-20,24,32H,2-6,14-15,21-23,25-29H2,1H3,(H,37,40);4-12,20H,13-18H2,1-3H3/p+4
InChIKeyJUVJBRDKYUBSHU-UHFFFAOYSA-R
MW2901.03 g/mol
LogP35.18
Rot. Bonds74

About 9-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]nonyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;8-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]octyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;2-(5-methoxy-1H-indol-3-yl)ethyl-dimethyl-[9-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]nonyl]azanium;[1-[9-[methyl(2-pyridin-2-ylethyl)amino]nonyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;trimethyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]azanium

9-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]nonyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;8-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]octyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;2-(5-methoxy-1H-indol-3-yl)ethyl-dimethyl-[9-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]nonyl]azanium;[1-[9-[methyl(2-pyridin-2-ylethyl)amino]nonyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;trimethyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]azanium (PubChem CID 159030583) has the molecular formula C179H243N19O15+4 and a molecular weight of 2901.03 g/mol. Its IUPAC name is 9-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]nonyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;8-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]octyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;2-(5-methoxy-1H-indol-3-yl)ethyl-dimethyl-[9-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]nonyl]azanium;[1-[9-[methyl(2-pyridin-2-ylethyl)amino]nonyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;trimethyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]azanium.

Molecular Properties

Compound Name9-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]nonyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;8-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]octyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;2-(5-methoxy-1H-indol-3-yl)ethyl-dimethyl-[9-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]nonyl]azanium;[1-[9-[methyl(2-pyridin-2-ylethyl)amino]nonyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;trimethyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]azanium
PubChem CID159030583
Molecular FormulaC179H243N19O15+4
Molecular Weight2901.03 g/mol
Exact Mass2898.88
IUPAC Name9-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]nonyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;8-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]octyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;2-(5-methoxy-1H-indol-3-yl)ethyl-dimethyl-[9-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]nonyl]azanium;[1-[9-[methyl(2-pyridin-2-ylethyl)amino]nonyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;trimethyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]azanium
SMILESCN(CCCCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)CCc1ccccn1.COc1ccc2[nH]cc(CC[N+](C)(C)CCCCCCCCCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2c1.C[N+](C)(C)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.C[N+](C)(CCCCCCCCCN1CCC(OC(=O)NC(c2ccccc2)c2ccccc2)CC1)CCCCN1C(=O)c2ccccc2C1=O.C[N+](C)(CCCCCCCCN1CCC(OC(=O)NC(c2ccccc2)c2ccccc2)CC1)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C42H56N4O4.C40H54N4O3.C39H50N4O4.C35H48N4O2.C23H31N3O2/c1-46(2,33-19-17-29-45-40(47)37-24-14-15-25-38(37)41(45)48)32-18-7-5-3-4-6-16-28-44-30-26-36(27-31-44)50-42(49)43-39(34-20-10-8-11-21-34)35-22-12-9-13-23-35;1-44(2,29-24-33-31-41-38-21-20-35(46-3)30-37(33)38)28-15-8-6-4-5-7-14-25-43-26-22-34(23-27-43)47-40(45)42-39-19-13-12-18-36(39)32-16-10-9-11-17-32;1-43(2,30-28-42-37(44)34-21-13-14-22-35(34)38(42)45)29-16-6-4-3-5-15-25-41-26-23-33(24-27-41)47-39(46)40-36(31-17-9-7-10-18-31)32-19-11-8-12-20-32;1-38(27-21-31-18-12-13-24-36-31)25-14-5-3-2-4-6-15-26-39-28-22-32(23-29-39)41-35(40)37-34-20-11-10-19-33(34)30-16-8-7-9-17-30;1-26(2,3)18-17-25-15-13-20(14-16-25)28-23(27)24-22-12-8-7-11-21(22)19-9-5-4-6-10-19/h8-15,20-25,36,39H,3-7,16-19,26-33H2,1-2H3;9-13,16-21,30-31,34,41H,4-8,14-15,22-29H2,1-3H3;7-14,17-22,33,36H,3-6,15-16,23-30H2,1-2H3;7-13,16-20,24,32H,2-6,14-15,21-23,25-29H2,1H3,(H,37,40);4-12,20H,13-18H2,1-3H3/p+4
InChIKeyJUVJBRDKYUBSHU-UHFFFAOYSA-R
XLogP35.18
TPSA323.76 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds74
Heavy Atoms213
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002901.03
LogP ≤ 535.18
H-Bond Donors ≤ 56
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 9-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]nonyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;8-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]octyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;2-(5-methoxy-1H-indol-3-yl)ethyl-dimethyl-[9-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]nonyl]azanium;[1-[9-[methyl(2-pyridin-2-ylethyl)amino]nonyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;trimethyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]azanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]nonyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;8-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]octyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;2-(5-methoxy-1H-indol-3-yl)ethyl-dimethyl-[9-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]nonyl]azanium;[1-[9-[methyl(2-pyridin-2-ylethyl)amino]nonyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;trimethyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]azanium?
The IUPAC name of 9-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]nonyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;8-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]octyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;2-(5-methoxy-1H-indol-3-yl)ethyl-dimethyl-[9-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]nonyl]azanium;[1-[9-[methyl(2-pyridin-2-ylethyl)amino]nonyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;trimethyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]azanium (CID 159030583) is 9-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]nonyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;8-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]octyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;2-(5-methoxy-1H-indol-3-yl)ethyl-dimethyl-[9-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]nonyl]azanium;[1-[9-[methyl(2-pyridin-2-ylethyl)amino]nonyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;trimethyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]azanium.
What is the SMILES notation for 9-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]nonyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;8-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]octyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;2-(5-methoxy-1H-indol-3-yl)ethyl-dimethyl-[9-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]nonyl]azanium;[1-[9-[methyl(2-pyridin-2-ylethyl)amino]nonyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;trimethyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]azanium?
The canonical SMILES for 9-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]nonyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;8-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]octyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;2-(5-methoxy-1H-indol-3-yl)ethyl-dimethyl-[9-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]nonyl]azanium;[1-[9-[methyl(2-pyridin-2-ylethyl)amino]nonyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;trimethyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]azanium is CN(CCCCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)CCc1ccccn1.COc1ccc2[nH]cc(CC[N+](C)(C)CCCCCCCCCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2c1.C[N+](C)(C)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.C[N+](C)(CCCCCCCCCN1CCC(OC(=O)NC(c2ccccc2)c2ccccc2)CC1)CCCCN1C(=O)c2ccccc2C1=O.C[N+](C)(CCCCCCCCN1CCC(OC(=O)NC(c2ccccc2)c2ccccc2)CC1)CCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 9-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]nonyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;8-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]octyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;2-(5-methoxy-1H-indol-3-yl)ethyl-dimethyl-[9-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]nonyl]azanium;[1-[9-[methyl(2-pyridin-2-ylethyl)amino]nonyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;trimethyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]azanium?
The InChIKey is JUVJBRDKYUBSHU-UHFFFAOYSA-R. The full InChI is InChI=1S/C42H56N4O4.C40H54N4O3.C39H50N4O4.C35H48N4O2.C23H31N3O2/c1-46(2,33-19-17-29-45-40(47)37-24-14-15-25-38(37)41(45)48)32-18-7-5-3-4-6-16-28-44-30-26-36(27-31-44)50-42(49)43-39(34-20-10-8-11-21-34)35-22-12-9-13-23-35;1-44(2,29-24-33-31-41-38-21-20-35(46-3)30-37(33)38)28-15-8-6-4-5-7-14-25-43-26-22-34(23-27-43)47-40(45)42-39-19-13-12-18-36(39)32-16-10-9-11-17-32;1-43(2,30-28-42-37(44)34-21-13-14-22-35(34)38(42)45)29-16-6-4-3-5-15-25-41-26-23-33(24-27-41)47-39(46)40-36(31-17-9-7-10-18-31)32-19-11-8-12-20-32;1-38(27-21-31-18-12-13-24-36-31)25-14-5-3-2-4-6-15-26-39-28-22-32(23-29-39)41-35(40)37-34-20-11-10-19-33(34)30-16-8-7-9-17-30;1-26(2,3)18-17-25-15-13-20(14-16-25)28-23(27)24-22-12-8-7-11-21(22)19-9-5-4-6-10-19/h8-15,20-25,36,39H,3-7,16-19,26-33H2,1-2H3;9-13,16-21,30-31,34,41H,4-8,14-15,22-29H2,1-3H3;7-14,17-22,33,36H,3-6,15-16,23-30H2,1-2H3;7-13,16-20,24,32H,2-6,14-15,21-23,25-29H2,1H3,(H,37,40);4-12,20H,13-18H2,1-3H3/p+4.
What are the key properties of 9-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]nonyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;8-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]octyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;2-(5-methoxy-1H-indol-3-yl)ethyl-dimethyl-[9-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]nonyl]azanium;[1-[9-[methyl(2-pyridin-2-ylethyl)amino]nonyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;trimethyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]azanium?
9-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]nonyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;8-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]octyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;2-(5-methoxy-1H-indol-3-yl)ethyl-dimethyl-[9-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]nonyl]azanium;[1-[9-[methyl(2-pyridin-2-ylethyl)amino]nonyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;trimethyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]azanium has a molecular weight of 2901.03 g/mol, XLogP of 35.18, 74 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]nonyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;8-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]octyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;2-(5-methoxy-1H-indol-3-yl)ethyl-dimethyl-[9-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]nonyl]azanium;[1-[9-[methyl(2-pyridin-2-ylethyl)amino]nonyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;trimethyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]azanium is sourced from PubChem (CID 159030583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).