1-(1-aminocyclohexyl)-5-[6-[4-[(2,6-dichlorophenyl)methyl]piperazine-1-carbonyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]pentan-1-one;1-(4-amino-1-propanoylpiperidin-4-yl)-5-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]pentan-1-one;5-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]-1-piperidin-2-ylpentan-1-one

C153H171Cl8F12N17O10 — CID 157050136

About 1-(1-aminocyclohexyl)-5-[6-[4-[(2,6-dichlorophenyl)methyl]piperazine-1-carbonyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]pentan-1-one;1-(4-amino-1-propanoylpiperidin-4-yl)-5-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]pentan-1-one;5-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]-1-piperidin-2-ylpentan-1-one

1-(1-aminocyclohexyl)-5-[6-[4-[(2,6-dichlorophenyl)methyl]piperazine-1-carbonyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]pentan-1-one;1-(4-amino-1-propanoylpiperidin-4-yl)-5-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]pentan-1-one;5-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]-1-piperidin-2-ylpentan-1-one (PubChem CID 157050136) has the molecular formula C153H171Cl8F12N17O10 and a molecular weight of 2919.76 g/mol. Its IUPAC name is 1-(1-aminocyclohexyl)-5-[6-[4-[(2,6-dichlorophenyl)methyl]piperazine-1-carbonyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]pentan-1-one;1-(4-amino-1-propanoylpiperidin-4-yl)-5-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]pentan-1-one;5-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]-1-piperidin-2-ylpentan-1-one.

Molecular Properties

• Compound Name: 1-(1-aminocyclohexyl)-5-[6-[4-[(2,6-dichlorophenyl)methyl]piperazine-1-carbonyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]pentan-1-one;1-(4-amino-1-propanoylpiperidin-4-yl)-5-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]pentan-1-one;5-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]-1-piperidin-2-ylpentan-1-one
• PubChem CID: 157050136
• Molecular Formula: C153H171Cl8F12N17O10
• Molecular Weight: 2919.76 g/mol
• Exact Mass: 2914.07
• IUPAC Name: 1-(1-aminocyclohexyl)-5-[6-[4-[(2,6-dichlorophenyl)methyl]piperazine-1-carbonyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]pentan-1-one;1-(4-amino-1-propanoylpiperidin-4-yl)-5-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]pentan-1-one;5-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]-1-piperidin-2-ylpentan-1-one
• SMILES: CCC(=O)N1CCC(N)(C(=O)CCCCc2cn(-c3ccc(OC(F)(F)F)cc3)c3cc(CN4CCN(Cc5c(Cl)cccc5Cl)CC4)ccc23)CC1.NC1(C(=O)CCCCc2cn(-c3ccc(OC(F)(F)F)cc3)c3cc(C(=O)N4CCN(Cc5c(Cl)cccc5Cl)CC4)ccc23)CCCCC1.NC1(C(=O)CCCCc2cn(-c3ccc(OC(F)(F)F)cc3)c3cc(CN4CCN(Cc5c(Cl)cccc5Cl)CC4)ccc23)CCCCC1.O=C(CCCCc1cn(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc12)C1CCCCN1
• InChI: InChI=1S/C40H46Cl2F3N5O3.C38H41Cl2F3N4O3.C38H43Cl2F3N4O2.C37H41Cl2F3N4O2/c1-2-38(52)49-18-16-39(46,17-19-49)37(51)9-4-3-6-29-26-50(30-11-13-31(14-12-30)53-40(43,44)45)36-24-28(10-15-32(29)36)25-47-20-22-48(23-21-47)27-33-34(41)7-5-8-35(33)42;39-32-8-6-9-33(40)31(32)25-45-19-21-46(22-20-45)36(49)26-11-16-30-27(7-2-3-10-35(48)37(44)17-4-1-5-18-37)24-47(34(30)23-26)28-12-14-29(15-13-28)50-38(41,42)43;39-33-8-6-9-34(40)32(33)26-46-21-19-45(20-22-46)24-27-11-16-31-28(7-2-3-10-36(48)37(44)17-4-1-5-18-37)25-47(35(31)23-27)29-12-14-30(15-13-29)49-38(41,42)43;38-32-7-5-8-33(39)31(32)25-45-20-18-44(19-21-45)23-26-11-16-30-27(6-1-2-10-36(47)34-9-3-4-17-43-34)24-46(35(30)22-26)28-12-14-29(15-13-28)48-37(40,41)42/h5,7-8,10-15,24,26H,2-4,6,9,16-23,25,27,46H2,1H3;6,8-9,11-16,23-24H,1-5,7,10,17-22,25,44H2;6,8-9,11-16,23,25H,1-5,7,10,17-22,24,26,44H2;5,7-8,11-16,22,24,34,43H,1-4,6,9-10,17-21,23,25H2
• InChIKey: AACHPOMAZKZHHW-UHFFFAOYSA-N
• XLogP: 34.58
• TPSA: 278.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 48
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2919.76
LogP ≤ 5	34.58
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-[6-[4-[(2,6-dichlorophenyl)methyl]piperazine-1-carbonyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]pentan-1-one;1-(4-amino-1-propanoylpiperidin-4-yl)-5-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]pentan-1-one;5-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]-1-piperidin-2-ylpentan-1-one?

The IUPAC name of 1-(1-aminocyclohexyl)-5-[6-[4-[(2,6-dichlorophenyl)methyl]piperazine-1-carbonyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]pentan-1-one;1-(4-amino-1-propanoylpiperidin-4-yl)-5-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]pentan-1-one;5-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]-1-piperidin-2-ylpentan-1-one (CID 157050136) is 1-(1-aminocyclohexyl)-5-[6-[4-[(2,6-dichlorophenyl)methyl]piperazine-1-carbonyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]pentan-1-one;1-(4-amino-1-propanoylpiperidin-4-yl)-5-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]pentan-1-one;5-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]-1-piperidin-2-ylpentan-1-one.

What is the SMILES notation for 1-(1-aminocyclohexyl)-5-[6-[4-[(2,6-dichlorophenyl)methyl]piperazine-1-carbonyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]pentan-1-one;1-(4-amino-1-propanoylpiperidin-4-yl)-5-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]pentan-1-one;5-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]-1-piperidin-2-ylpentan-1-one?

The canonical SMILES for 1-(1-aminocyclohexyl)-5-[6-[4-[(2,6-dichlorophenyl)methyl]piperazine-1-carbonyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]pentan-1-one;1-(4-amino-1-propanoylpiperidin-4-yl)-5-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]pentan-1-one;5-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]-1-piperidin-2-ylpentan-1-one is CCC(=O)N1CCC(N)(C(=O)CCCCc2cn(-c3ccc(OC(F)(F)F)cc3)c3cc(CN4CCN(Cc5c(Cl)cccc5Cl)CC4)ccc23)CC1.NC1(C(=O)CCCCc2cn(-c3ccc(OC(F)(F)F)cc3)c3cc(C(=O)N4CCN(Cc5c(Cl)cccc5Cl)CC4)ccc23)CCCCC1.NC1(C(=O)CCCCc2cn(-c3ccc(OC(F)(F)F)cc3)c3cc(CN4CCN(Cc5c(Cl)cccc5Cl)CC4)ccc23)CCCCC1.O=C(CCCCc1cn(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc12)C1CCCCN1.

What is the InChIKey of 1-(1-aminocyclohexyl)-5-[6-[4-[(2,6-dichlorophenyl)methyl]piperazine-1-carbonyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]pentan-1-one;1-(4-amino-1-propanoylpiperidin-4-yl)-5-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]pentan-1-one;5-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]-1-piperidin-2-ylpentan-1-one?

The InChIKey is AACHPOMAZKZHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H46Cl2F3N5O3.C38H41Cl2F3N4O3.C38H43Cl2F3N4O2.C37H41Cl2F3N4O2/c1-2-38(52)49-18-16-39(46,17-19-49)37(51)9-4-3-6-29-26-50(30-11-13-31(14-12-30)53-40(43,44)45)36-24-28(10-15-32(29)36)25-47-20-22-48(23-21-47)27-33-34(41)7-5-8-35(33)42;39-32-8-6-9-33(40)31(32)25-45-19-21-46(22-20-45)36(49)26-11-16-30-27(7-2-3-10-35(48)37(44)17-4-1-5-18-37)24-47(34(30)23-26)28-12-14-29(15-13-28)50-38(41,42)43;39-33-8-6-9-34(40)32(33)26-46-21-19-45(20-22-46)24-27-11-16-31-28(7-2-3-10-36(48)37(44)17-4-1-5-18-37)25-47(35(31)23-27)29-12-14-30(15-13-29)49-38(41,42)43;38-32-7-5-8-33(39)31(32)25-45-20-18-44(19-21-45)23-26-11-16-30-27(6-1-2-10-36(47)34-9-3-4-17-43-34)24-46(35(30)22-26)28-12-14-29(15-13-28)48-37(40,41)42/h5,7-8,10-15,24,26H,2-4,6,9,16-23,25,27,46H2,1H3;6,8-9,11-16,23-24H,1-5,7,10,17-22,25,44H2;6,8-9,11-16,23,25H,1-5,7,10,17-22,24,26,44H2;5,7-8,11-16,22,24,34,43H,1-4,6,9-10,17-21,23,25H2.

What are the key properties of 1-(1-aminocyclohexyl)-5-[6-[4-[(2,6-dichlorophenyl)methyl]piperazine-1-carbonyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]pentan-1-one;1-(4-amino-1-propanoylpiperidin-4-yl)-5-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]pentan-1-one;5-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]-1-piperidin-2-ylpentan-1-one?

1-(1-aminocyclohexyl)-5-[6-[4-[(2,6-dichlorophenyl)methyl]piperazine-1-carbonyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]pentan-1-one;1-(4-amino-1-propanoylpiperidin-4-yl)-5-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]pentan-1-one;5-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]-1-piperidin-2-ylpentan-1-one has a molecular weight of 2919.76 g/mol, XLogP of 34.58, 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-[6-[4-[(2,6-dichlorophenyl)methyl]piperazine-1-carbonyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]pentan-1-one;1-(4-amino-1-propanoylpiperidin-4-yl)-5-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]pentan-1-one;5-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]-1-piperidin-2-ylpentan-1-one is sourced from PubChem (CID 157050136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).