tert-butyl N-[3-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]carbamate;tert-butyl N-[3-[6-formyl-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]carbamate;tert-butyl N-[3-[6-(hydroxymethyl)-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]carbamate;1-[(2,6-dichlorophenyl)methyl]piperazine;3-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propan-1-amine

C124H136Cl6F12N14O12 — CID 157254213

About tert-butyl N-[3-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]carbamate;tert-butyl N-[3-[6-formyl-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]carbamate;tert-butyl N-[3-[6-(hydroxymethyl)-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]carbamate;1-[(2,6-dichlorophenyl)methyl]piperazine;3-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propan-1-amine

tert-butyl N-[3-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]carbamate;tert-butyl N-[3-[6-formyl-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]carbamate;tert-butyl N-[3-[6-(hydroxymethyl)-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]carbamate;1-[(2,6-dichlorophenyl)methyl]piperazine;3-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propan-1-amine (PubChem CID 157254213) has the molecular formula C124H136Cl6F12N14O12 and a molecular weight of 2455.23 g/mol. Its IUPAC name is tert-butyl N-[3-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]carbamate;tert-butyl N-[3-[6-formyl-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]carbamate;tert-butyl N-[3-[6-(hydroxymethyl)-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]carbamate;1-[(2,6-dichlorophenyl)methyl]piperazine;3-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propan-1-amine.

Molecular Properties

• Compound Name: tert-butyl N-[3-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]carbamate;tert-butyl N-[3-[6-formyl-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]carbamate;tert-butyl N-[3-[6-(hydroxymethyl)-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]carbamate;1-[(2,6-dichlorophenyl)methyl]piperazine;3-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propan-1-amine
• PubChem CID: 157254213
• Molecular Formula: C124H136Cl6F12N14O12
• Molecular Weight: 2455.23 g/mol
• Exact Mass: 2450.84
• IUPAC Name: tert-butyl N-[3-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]carbamate;tert-butyl N-[3-[6-formyl-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]carbamate;tert-butyl N-[3-[6-(hydroxymethyl)-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]carbamate;1-[(2,6-dichlorophenyl)methyl]piperazine;3-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propan-1-amine
• SMILES: CC(C)(C)OC(=O)NCCCc1cn(-c2ccc(OC(F)(F)F)cc2)c2cc(C=O)ccc12.CC(C)(C)OC(=O)NCCCc1cn(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc12.CC(C)(C)OC(=O)NCCCc1cn(-c2ccc(OC(F)(F)F)cc2)c2cc(CO)ccc12.Clc1cccc(Cl)c1CN1CCNCC1.NCCCc1cn(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc12
• InChI: InChI=1S/C35H39Cl2F3N4O3.C30H31Cl2F3N4O.C24H27F3N2O4.C24H25F3N2O4.C11H14Cl2N2/c1-34(2,3)47-33(45)41-15-5-6-25-22-44(26-10-12-27(13-11-26)46-35(38,39)40)32-20-24(9-14-28(25)32)21-42-16-18-43(19-17-42)23-29-30(36)7-4-8-31(29)37;31-27-4-1-5-28(32)26(27)20-38-15-13-37(14-16-38)18-21-6-11-25-22(3-2-12-36)19-39(29(25)17-21)23-7-9-24(10-8-23)40-30(33,34)35;2*1-23(2,3)33-22(31)28-12-4-5-17-14-29(21-13-16(15-30)6-11-20(17)21)18-7-9-19(10-8-18)32-24(25,26)27;12-10-2-1-3-11(13)9(10)8-15-6-4-14-5-7-15/h4,7-14,20,22H,5-6,15-19,21,23H2,1-3H3,(H,41,45);1,4-11,17,19H,2-3,12-16,18,20,36H2;6-11,13-14,30H,4-5,12,15H2,1-3H3,(H,28,31);6-11,13-15H,4-5,12H2,1-3H3,(H,28,31);1-3,14H,4-8H2
• InChIKey: AWRRFEFZPRZTAB-UHFFFAOYSA-N
• XLogP: 29.33
• TPSA: 263.18 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 35
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2455.23
LogP ≤ 5	29.33
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]carbamate;tert-butyl N-[3-[6-formyl-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]carbamate;tert-butyl N-[3-[6-(hydroxymethyl)-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]carbamate;1-[(2,6-dichlorophenyl)methyl]piperazine;3-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propan-1-amine?

The IUPAC name of tert-butyl N-[3-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]carbamate;tert-butyl N-[3-[6-formyl-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]carbamate;tert-butyl N-[3-[6-(hydroxymethyl)-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]carbamate;1-[(2,6-dichlorophenyl)methyl]piperazine;3-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propan-1-amine (CID 157254213) is tert-butyl N-[3-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]carbamate;tert-butyl N-[3-[6-formyl-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]carbamate;tert-butyl N-[3-[6-(hydroxymethyl)-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]carbamate;1-[(2,6-dichlorophenyl)methyl]piperazine;3-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propan-1-amine.

What is the SMILES notation for tert-butyl N-[3-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]carbamate;tert-butyl N-[3-[6-formyl-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]carbamate;tert-butyl N-[3-[6-(hydroxymethyl)-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]carbamate;1-[(2,6-dichlorophenyl)methyl]piperazine;3-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propan-1-amine?

The canonical SMILES for tert-butyl N-[3-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]carbamate;tert-butyl N-[3-[6-formyl-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]carbamate;tert-butyl N-[3-[6-(hydroxymethyl)-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]carbamate;1-[(2,6-dichlorophenyl)methyl]piperazine;3-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propan-1-amine is CC(C)(C)OC(=O)NCCCc1cn(-c2ccc(OC(F)(F)F)cc2)c2cc(C=O)ccc12.CC(C)(C)OC(=O)NCCCc1cn(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc12.CC(C)(C)OC(=O)NCCCc1cn(-c2ccc(OC(F)(F)F)cc2)c2cc(CO)ccc12.Clc1cccc(Cl)c1CN1CCNCC1.NCCCc1cn(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc12.

What is the InChIKey of tert-butyl N-[3-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]carbamate;tert-butyl N-[3-[6-formyl-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]carbamate;tert-butyl N-[3-[6-(hydroxymethyl)-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]carbamate;1-[(2,6-dichlorophenyl)methyl]piperazine;3-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propan-1-amine?

The InChIKey is AWRRFEFZPRZTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39Cl2F3N4O3.C30H31Cl2F3N4O.C24H27F3N2O4.C24H25F3N2O4.C11H14Cl2N2/c1-34(2,3)47-33(45)41-15-5-6-25-22-44(26-10-12-27(13-11-26)46-35(38,39)40)32-20-24(9-14-28(25)32)21-42-16-18-43(19-17-42)23-29-30(36)7-4-8-31(29)37;31-27-4-1-5-28(32)26(27)20-38-15-13-37(14-16-38)18-21-6-11-25-22(3-2-12-36)19-39(29(25)17-21)23-7-9-24(10-8-23)40-30(33,34)35;2*1-23(2,3)33-22(31)28-12-4-5-17-14-29(21-13-16(15-30)6-11-20(17)21)18-7-9-19(10-8-18)32-24(25,26)27;12-10-2-1-3-11(13)9(10)8-15-6-4-14-5-7-15/h4,7-14,20,22H,5-6,15-19,21,23H2,1-3H3,(H,41,45);1,4-11,17,19H,2-3,12-16,18,20,36H2;6-11,13-14,30H,4-5,12,15H2,1-3H3,(H,28,31);6-11,13-15H,4-5,12H2,1-3H3,(H,28,31);1-3,14H,4-8H2.

What are the key properties of tert-butyl N-[3-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]carbamate;tert-butyl N-[3-[6-formyl-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]carbamate;tert-butyl N-[3-[6-(hydroxymethyl)-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]carbamate;1-[(2,6-dichlorophenyl)methyl]piperazine;3-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propan-1-amine?

tert-butyl N-[3-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]carbamate;tert-butyl N-[3-[6-formyl-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]carbamate;tert-butyl N-[3-[6-(hydroxymethyl)-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]carbamate;1-[(2,6-dichlorophenyl)methyl]piperazine;3-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propan-1-amine has a molecular weight of 2455.23 g/mol, XLogP of 29.33, 35 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[3-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]carbamate;tert-butyl N-[3-[6-formyl-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]carbamate;tert-butyl N-[3-[6-(hydroxymethyl)-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]carbamate;1-[(2,6-dichlorophenyl)methyl]piperazine;3-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propan-1-amine is sourced from PubChem (CID 157254213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).