1-(1-aminocyclohexyl)-5-[5-[[4-[(2-methoxy-6-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;2-[[4-[[1-[5-(1-aminocyclohexyl)-5-oxopentyl]-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]methyl]-3-isocyanobenzonitrile;1-(1-aminocyclohexyl)-5-[3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indol-1-yl]pentan-1-one

C158H183F15N18O11 — CID 158375586

About 1-(1-aminocyclohexyl)-5-[5-[[4-[(2-methoxy-6-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;2-[[4-[[1-[5-(1-aminocyclohexyl)-5-oxopentyl]-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]methyl]-3-isocyanobenzonitrile;1-(1-aminocyclohexyl)-5-[3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indol-1-yl]pentan-1-one

1-(1-aminocyclohexyl)-5-[5-[[4-[(2-methoxy-6-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;2-[[4-[[1-[5-(1-aminocyclohexyl)-5-oxopentyl]-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]methyl]-3-isocyanobenzonitrile;1-(1-aminocyclohexyl)-5-[3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indol-1-yl]pentan-1-one (PubChem CID 158375586) has the molecular formula C158H183F15N18O11 and a molecular weight of 2795.29 g/mol. Its IUPAC name is 1-(1-aminocyclohexyl)-5-[5-[[4-[(2-methoxy-6-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;2-[[4-[[1-[5-(1-aminocyclohexyl)-5-oxopentyl]-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]methyl]-3-isocyanobenzonitrile;1-(1-aminocyclohexyl)-5-[3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indol-1-yl]pentan-1-one.

Molecular Properties

• Compound Name: 1-(1-aminocyclohexyl)-5-[5-[[4-[(2-methoxy-6-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;2-[[4-[[1-[5-(1-aminocyclohexyl)-5-oxopentyl]-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]methyl]-3-isocyanobenzonitrile;1-(1-aminocyclohexyl)-5-[3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indol-1-yl]pentan-1-one
• PubChem CID: 158375586
• Molecular Formula: C158H183F15N18O11
• Molecular Weight: 2795.29 g/mol
• Exact Mass: 2793.41
• IUPAC Name: 1-(1-aminocyclohexyl)-5-[5-[[4-[(2-methoxy-6-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;2-[[4-[[1-[5-(1-aminocyclohexyl)-5-oxopentyl]-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]methyl]-3-isocyanobenzonitrile;1-(1-aminocyclohexyl)-5-[3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indol-1-yl]pentan-1-one
• SMILES: COc1cccc(C)c1CN1CCN(Cc2ccc3c(c2)c(-c2ccc(OC(F)(F)F)cc2)cn3CCCCC(=O)C2(N)CCCCC2)CC1.COc1ccccc1CN1CCN(Cc2ccc3c(c2)c(-c2ccc(OC(F)(F)F)cc2)cn3CCCCC(=O)C2(N)CCCCC2)CC1.NC1(C(=O)CCCCn2cc(-c3ccc(OC(F)(F)F)cc3)c3cc(CN4CCN(Cc5ccccc5OC(F)(F)F)CC4)ccc32)CCCCC1.[C-]#[N+]c1cccc(C#N)c1CN1CCN(Cc2ccc3c(c2)c(-c2ccc(OC(F)(F)F)cc2)cn3CCCCC(=O)C2(N)CCCCC2)CC1
• InChI: InChI=1S/C40H43F3N6O2.C40H49F3N4O3.C39H44F6N4O3.C39H47F3N4O3/c1-46-36-9-7-8-31(25-44)35(36)27-48-22-20-47(21-23-48)26-29-11-16-37-33(24-29)34(30-12-14-32(15-13-30)51-40(41,42)43)28-49(37)19-6-3-10-38(50)39(45)17-4-2-5-18-39;1-29-9-8-10-37(49-2)34(29)27-46-23-21-45(22-24-46)26-30-12-17-36-33(25-30)35(31-13-15-32(16-14-31)50-40(41,42)43)28-47(36)20-7-4-11-38(48)39(44)18-5-3-6-19-39;40-38(41,42)51-31-14-12-29(13-15-31)33-27-49(19-7-4-10-36(50)37(46)17-5-1-6-18-37)34-16-11-28(24-32(33)34)25-47-20-22-48(23-21-47)26-30-8-2-3-9-35(30)52-39(43,44)45;1-48-36-10-4-3-9-31(36)27-45-23-21-44(22-24-45)26-29-12-17-35-33(25-29)34(30-13-15-32(16-14-30)49-39(40,41)42)28-46(35)20-8-5-11-37(47)38(43)18-6-2-7-19-38/h7-9,11-16,24,28H,2-6,10,17-23,26-27,45H2;8-10,12-17,25,28H,3-7,11,18-24,26-27,44H2,1-2H3;2-3,8-9,11-16,24,27H,1,4-7,10,17-23,25-26,46H2;3-4,9-10,12-17,25,28H,2,5-8,11,18-24,26-27,43H2,1H3
• InChIKey: GVDMCFFDIXQHTQ-UHFFFAOYSA-N
• XLogP: 33.35
• TPSA: 310.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 51
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2795.29
LogP ≤ 5	33.35
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclohexyl)-5-[5-[[4-[(2-methoxy-6-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;2-[[4-[[1-[5-(1-aminocyclohexyl)-5-oxopentyl]-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]methyl]-3-isocyanobenzonitrile;1-(1-aminocyclohexyl)-5-[3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indol-1-yl]pentan-1-one?

The IUPAC name of 1-(1-aminocyclohexyl)-5-[5-[[4-[(2-methoxy-6-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;2-[[4-[[1-[5-(1-aminocyclohexyl)-5-oxopentyl]-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]methyl]-3-isocyanobenzonitrile;1-(1-aminocyclohexyl)-5-[3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indol-1-yl]pentan-1-one (CID 158375586) is 1-(1-aminocyclohexyl)-5-[5-[[4-[(2-methoxy-6-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;2-[[4-[[1-[5-(1-aminocyclohexyl)-5-oxopentyl]-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]methyl]-3-isocyanobenzonitrile;1-(1-aminocyclohexyl)-5-[3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indol-1-yl]pentan-1-one.

What is the SMILES notation for 1-(1-aminocyclohexyl)-5-[5-[[4-[(2-methoxy-6-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;2-[[4-[[1-[5-(1-aminocyclohexyl)-5-oxopentyl]-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]methyl]-3-isocyanobenzonitrile;1-(1-aminocyclohexyl)-5-[3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indol-1-yl]pentan-1-one?

The canonical SMILES for 1-(1-aminocyclohexyl)-5-[5-[[4-[(2-methoxy-6-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;2-[[4-[[1-[5-(1-aminocyclohexyl)-5-oxopentyl]-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]methyl]-3-isocyanobenzonitrile;1-(1-aminocyclohexyl)-5-[3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indol-1-yl]pentan-1-one is COc1cccc(C)c1CN1CCN(Cc2ccc3c(c2)c(-c2ccc(OC(F)(F)F)cc2)cn3CCCCC(=O)C2(N)CCCCC2)CC1.COc1ccccc1CN1CCN(Cc2ccc3c(c2)c(-c2ccc(OC(F)(F)F)cc2)cn3CCCCC(=O)C2(N)CCCCC2)CC1.NC1(C(=O)CCCCn2cc(-c3ccc(OC(F)(F)F)cc3)c3cc(CN4CCN(Cc5ccccc5OC(F)(F)F)CC4)ccc32)CCCCC1.[C-]#[N+]c1cccc(C#N)c1CN1CCN(Cc2ccc3c(c2)c(-c2ccc(OC(F)(F)F)cc2)cn3CCCCC(=O)C2(N)CCCCC2)CC1.

What is the InChIKey of 1-(1-aminocyclohexyl)-5-[5-[[4-[(2-methoxy-6-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;2-[[4-[[1-[5-(1-aminocyclohexyl)-5-oxopentyl]-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]methyl]-3-isocyanobenzonitrile;1-(1-aminocyclohexyl)-5-[3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indol-1-yl]pentan-1-one?

The InChIKey is GVDMCFFDIXQHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H43F3N6O2.C40H49F3N4O3.C39H44F6N4O3.C39H47F3N4O3/c1-46-36-9-7-8-31(25-44)35(36)27-48-22-20-47(21-23-48)26-29-11-16-37-33(24-29)34(30-12-14-32(15-13-30)51-40(41,42)43)28-49(37)19-6-3-10-38(50)39(45)17-4-2-5-18-39;1-29-9-8-10-37(49-2)34(29)27-46-23-21-45(22-24-46)26-30-12-17-36-33(25-30)35(31-13-15-32(16-14-31)50-40(41,42)43)28-47(36)20-7-4-11-38(48)39(44)18-5-3-6-19-39;40-38(41,42)51-31-14-12-29(13-15-31)33-27-49(19-7-4-10-36(50)37(46)17-5-1-6-18-37)34-16-11-28(24-32(33)34)25-47-20-22-48(23-21-47)26-30-8-2-3-9-35(30)52-39(43,44)45;1-48-36-10-4-3-9-31(36)27-45-23-21-44(22-24-45)26-29-12-17-35-33(25-29)34(30-13-15-32(16-14-30)49-39(40,41)42)28-46(35)20-8-5-11-37(47)38(43)18-6-2-7-19-38/h7-9,11-16,24,28H,2-6,10,17-23,26-27,45H2;8-10,12-17,25,28H,3-7,11,18-24,26-27,44H2,1-2H3;2-3,8-9,11-16,24,27H,1,4-7,10,17-23,25-26,46H2;3-4,9-10,12-17,25,28H,2,5-8,11,18-24,26-27,43H2,1H3.

What are the key properties of 1-(1-aminocyclohexyl)-5-[5-[[4-[(2-methoxy-6-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;2-[[4-[[1-[5-(1-aminocyclohexyl)-5-oxopentyl]-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]methyl]-3-isocyanobenzonitrile;1-(1-aminocyclohexyl)-5-[3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indol-1-yl]pentan-1-one?

1-(1-aminocyclohexyl)-5-[5-[[4-[(2-methoxy-6-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;2-[[4-[[1-[5-(1-aminocyclohexyl)-5-oxopentyl]-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]methyl]-3-isocyanobenzonitrile;1-(1-aminocyclohexyl)-5-[3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indol-1-yl]pentan-1-one has a molecular weight of 2795.29 g/mol, XLogP of 33.35, 51 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-aminocyclohexyl)-5-[5-[[4-[(2-methoxy-6-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;2-[[4-[[1-[5-(1-aminocyclohexyl)-5-oxopentyl]-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]methyl]-3-isocyanobenzonitrile;1-(1-aminocyclohexyl)-5-[3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indol-1-yl]pentan-1-one is sourced from PubChem (CID 158375586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).