1-(1-aminocyclohexyl)-5-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[(2-fluorophenyl)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]benzonitrile

C153H175ClF15N17O8 — CID 162167100

About 1-(1-aminocyclohexyl)-5-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[(2-fluorophenyl)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]benzonitrile

1-(1-aminocyclohexyl)-5-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[(2-fluorophenyl)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]benzonitrile (PubChem CID 162167100) has the molecular formula C153H175ClF15N17O8 and a molecular weight of 2700.62 g/mol. Its IUPAC name is 1-(1-aminocyclohexyl)-5-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[(2-fluorophenyl)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]benzonitrile.

Molecular Properties

• Compound Name: 1-(1-aminocyclohexyl)-5-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[(2-fluorophenyl)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]benzonitrile
• PubChem CID: 162167100
• Molecular Formula: C153H175ClF15N17O8
• Molecular Weight: 2700.62 g/mol
• Exact Mass: 2698.33
• IUPAC Name: 1-(1-aminocyclohexyl)-5-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[(2-fluorophenyl)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]benzonitrile
• SMILES: N#Cc1ccccc1CN1CCN(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(Cc5c(F)cccc5F)CC4)ccc32)CCCCC1.NC1(C(=O)CCCCn2cc(-c3ccc(OC(F)(F)F)cc3)c3cc(CN4CCN(Cc5ccccc5Cl)CC4)ccc32)CCCCC1.NC1(C(=O)CCCCn2cc(-c3ccc(OC(F)(F)F)cc3)c3cc(CN4CCN(Cc5ccccc5F)CC4)ccc32)CCCCC1
• InChI: InChI=1S/C39H44F3N5O2.C38H44ClF3N4O2.C38H43F5N4O2.C38H44F4N4O2/c40-39(41,42)49-33-14-12-30(13-15-33)35-28-47(19-7-4-10-37(48)38(44)17-5-1-6-18-38)36-16-11-29(24-34(35)36)26-45-20-22-46(23-21-45)27-32-9-3-2-8-31(32)25-43;39-34-9-3-2-8-30(34)26-45-22-20-44(21-23-45)25-28-11-16-35-32(24-28)33(29-12-14-31(15-13-29)48-38(40,41)42)27-46(35)19-7-4-10-36(47)37(43)17-5-1-6-18-37;39-33-7-6-8-34(40)32(33)25-46-21-19-45(20-22-46)24-27-10-15-35-30(23-27)31(28-11-13-29(14-12-28)49-38(41,42)43)26-47(35)18-5-2-9-36(48)37(44)16-3-1-4-17-37;39-34-9-3-2-8-30(34)26-45-22-20-44(21-23-45)25-28-11-16-35-32(24-28)33(29-12-14-31(15-13-29)48-38(40,41)42)27-46(35)19-7-4-10-36(47)37(43)17-5-1-6-18-37/h2-3,8-9,11-16,24,28H,1,4-7,10,17-23,26-27,44H2;2-3,8-9,11-16,24,27H,1,4-7,10,17-23,25-26,43H2;6-8,10-15,23,26H,1-5,9,16-22,24-25,44H2;2-3,8-9,11-16,24,27H,1,4-7,10,17-23,25-26,43H2
• InChIKey: ZNGWFNPBVMTDLC-UHFFFAOYSA-N
• XLogP: 32.65
• TPSA: 278.71 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 48
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2700.62
LogP ≤ 5	32.65
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclohexyl)-5-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[(2-fluorophenyl)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]benzonitrile?

The IUPAC name of 1-(1-aminocyclohexyl)-5-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[(2-fluorophenyl)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]benzonitrile (CID 162167100) is 1-(1-aminocyclohexyl)-5-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[(2-fluorophenyl)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]benzonitrile.

What is the SMILES notation for 1-(1-aminocyclohexyl)-5-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[(2-fluorophenyl)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]benzonitrile?

The canonical SMILES for 1-(1-aminocyclohexyl)-5-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[(2-fluorophenyl)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]benzonitrile is N#Cc1ccccc1CN1CCN(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(Cc5c(F)cccc5F)CC4)ccc32)CCCCC1.NC1(C(=O)CCCCn2cc(-c3ccc(OC(F)(F)F)cc3)c3cc(CN4CCN(Cc5ccccc5Cl)CC4)ccc32)CCCCC1.NC1(C(=O)CCCCn2cc(-c3ccc(OC(F)(F)F)cc3)c3cc(CN4CCN(Cc5ccccc5F)CC4)ccc32)CCCCC1.

What is the InChIKey of 1-(1-aminocyclohexyl)-5-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[(2-fluorophenyl)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]benzonitrile?

The InChIKey is ZNGWFNPBVMTDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H44F3N5O2.C38H44ClF3N4O2.C38H43F5N4O2.C38H44F4N4O2/c40-39(41,42)49-33-14-12-30(13-15-33)35-28-47(19-7-4-10-37(48)38(44)17-5-1-6-18-38)36-16-11-29(24-34(35)36)26-45-20-22-46(23-21-45)27-32-9-3-2-8-31(32)25-43;39-34-9-3-2-8-30(34)26-45-22-20-44(21-23-45)25-28-11-16-35-32(24-28)33(29-12-14-31(15-13-29)48-38(40,41)42)27-46(35)19-7-4-10-36(47)37(43)17-5-1-6-18-37;39-33-7-6-8-34(40)32(33)25-46-21-19-45(20-22-46)24-27-10-15-35-30(23-27)31(28-11-13-29(14-12-28)49-38(41,42)43)26-47(35)18-5-2-9-36(48)37(44)16-3-1-4-17-37;39-34-9-3-2-8-30(34)26-45-22-20-44(21-23-45)25-28-11-16-35-32(24-28)33(29-12-14-31(15-13-29)48-38(40,41)42)27-46(35)19-7-4-10-36(47)37(43)17-5-1-6-18-37/h2-3,8-9,11-16,24,28H,1,4-7,10,17-23,26-27,44H2;2-3,8-9,11-16,24,27H,1,4-7,10,17-23,25-26,43H2;6-8,10-15,23,26H,1-5,9,16-22,24-25,44H2;2-3,8-9,11-16,24,27H,1,4-7,10,17-23,25-26,43H2.

What are the key properties of 1-(1-aminocyclohexyl)-5-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[(2-fluorophenyl)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]benzonitrile?

1-(1-aminocyclohexyl)-5-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[(2-fluorophenyl)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]benzonitrile has a molecular weight of 2700.62 g/mol, XLogP of 32.65, 48 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-aminocyclohexyl)-5-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[(2-fluorophenyl)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]benzonitrile is sourced from PubChem (CID 162167100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).