tert-butyl 4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-formyl-3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;1-[(2-chlorophenyl)methyl]piperazine;[2-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-cyclohexylindol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;methane

C121H148Cl3F9N14O12 — CID 159623283

About tert-butyl 4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-formyl-3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;1-[(2-chlorophenyl)methyl]piperazine;[2-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-cyclohexylindol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;methane

tert-butyl 4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-formyl-3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;1-[(2-chlorophenyl)methyl]piperazine;[2-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-cyclohexylindol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;methane (PubChem CID 159623283) has the molecular formula C121H148Cl3F9N14O12 and a molecular weight of 2267.94 g/mol. Its IUPAC name is tert-butyl 4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-formyl-3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;1-[(2-chlorophenyl)methyl]piperazine;[2-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-cyclohexylindol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;methane.

Molecular Properties

• Compound Name: tert-butyl 4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-formyl-3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;1-[(2-chlorophenyl)methyl]piperazine;[2-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-cyclohexylindol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;methane
• PubChem CID: 159623283
• Molecular Formula: C121H148Cl3F9N14O12
• Molecular Weight: 2267.94 g/mol
• Exact Mass: 2265.03
• IUPAC Name: tert-butyl 4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-formyl-3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;1-[(2-chlorophenyl)methyl]piperazine;[2-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-cyclohexylindol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;methane
• SMILES: C.CC(C)(C)OC(=O)NCc1cc(OC(F)(F)F)ccc1-c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)c2ccc(C=O)cc12.CC(C)(C)OC(=O)NCc1cc(OC(F)(F)F)ccc1-c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)c2ccc(CN3CCN(Cc4ccccc4Cl)CC3)cc12.Clc1ccccc1CN1CCNCC1.NCc1cc(OC(F)(F)F)ccc1-c1cn(C2CCCCC2)c2ccc(CN3CCN(Cc4ccccc4Cl)CC3)cc12
• InChI: InChI=1S/C43H53ClF3N5O5.C34H38ClF3N4O.C32H38F3N3O6.C11H15ClN2.CH4/c1-41(2,3)56-39(53)48-25-31-24-33(55-43(45,46)47)12-13-34(31)36-28-52(32-15-17-51(18-16-32)40(54)57-42(4,5)6)38-14-11-29(23-35(36)38)26-49-19-21-50(22-20-49)27-30-9-7-8-10-37(30)44;35-32-9-5-4-6-25(32)22-41-16-14-40(15-17-41)21-24-10-13-33-30(18-24)31(23-42(33)27-7-2-1-3-8-27)29-12-11-28(19-26(29)20-39)43-34(36,37)38;1-30(2,3)43-28(40)36-17-21-16-23(42-32(33,34)35)8-9-24(21)26-18-38(27-10-7-20(19-39)15-25(26)27)22-11-13-37(14-12-22)29(41)44-31(4,5)6;12-11-4-2-1-3-10(11)9-14-7-5-13-6-8-14;/h7-14,23-24,28,32H,15-22,25-27H2,1-6H3,(H,48,53);4-6,9-13,18-19,23,27H,1-3,7-8,14-17,20-22,39H2;7-10,15-16,18-19,22H,11-14,17H2,1-6H3,(H,36,40);1-4,13H,5-9H2;1H4
• InChIKey: MODYZLPRVODTBA-UHFFFAOYSA-N
• XLogP: 27.91
• TPSA: 249.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 25
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2267.94
LogP ≤ 5	27.91
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-formyl-3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;1-[(2-chlorophenyl)methyl]piperazine;[2-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-cyclohexylindol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;methane?

The IUPAC name of tert-butyl 4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-formyl-3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;1-[(2-chlorophenyl)methyl]piperazine;[2-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-cyclohexylindol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;methane (CID 159623283) is tert-butyl 4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-formyl-3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;1-[(2-chlorophenyl)methyl]piperazine;[2-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-cyclohexylindol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;methane.

What is the SMILES notation for tert-butyl 4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-formyl-3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;1-[(2-chlorophenyl)methyl]piperazine;[2-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-cyclohexylindol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;methane?

The canonical SMILES for tert-butyl 4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-formyl-3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;1-[(2-chlorophenyl)methyl]piperazine;[2-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-cyclohexylindol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;methane is C.CC(C)(C)OC(=O)NCc1cc(OC(F)(F)F)ccc1-c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)c2ccc(C=O)cc12.CC(C)(C)OC(=O)NCc1cc(OC(F)(F)F)ccc1-c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)c2ccc(CN3CCN(Cc4ccccc4Cl)CC3)cc12.Clc1ccccc1CN1CCNCC1.NCc1cc(OC(F)(F)F)ccc1-c1cn(C2CCCCC2)c2ccc(CN3CCN(Cc4ccccc4Cl)CC3)cc12.

What is the InChIKey of tert-butyl 4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-formyl-3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;1-[(2-chlorophenyl)methyl]piperazine;[2-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-cyclohexylindol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;methane?

The InChIKey is MODYZLPRVODTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H53ClF3N5O5.C34H38ClF3N4O.C32H38F3N3O6.C11H15ClN2.CH4/c1-41(2,3)56-39(53)48-25-31-24-33(55-43(45,46)47)12-13-34(31)36-28-52(32-15-17-51(18-16-32)40(54)57-42(4,5)6)38-14-11-29(23-35(36)38)26-49-19-21-50(22-20-49)27-30-9-7-8-10-37(30)44;35-32-9-5-4-6-25(32)22-41-16-14-40(15-17-41)21-24-10-13-33-30(18-24)31(23-42(33)27-7-2-1-3-8-27)29-12-11-28(19-26(29)20-39)43-34(36,37)38;1-30(2,3)43-28(40)36-17-21-16-23(42-32(33,34)35)8-9-24(21)26-18-38(27-10-7-20(19-39)15-25(26)27)22-11-13-37(14-12-22)29(41)44-31(4,5)6;12-11-4-2-1-3-10(11)9-14-7-5-13-6-8-14;/h7-14,23-24,28,32H,15-22,25-27H2,1-6H3,(H,48,53);4-6,9-13,18-19,23,27H,1-3,7-8,14-17,20-22,39H2;7-10,15-16,18-19,22H,11-14,17H2,1-6H3,(H,36,40);1-4,13H,5-9H2;1H4.

What are the key properties of tert-butyl 4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-formyl-3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;1-[(2-chlorophenyl)methyl]piperazine;[2-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-cyclohexylindol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;methane?

tert-butyl 4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-formyl-3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;1-[(2-chlorophenyl)methyl]piperazine;[2-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-cyclohexylindol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;methane has a molecular weight of 2267.94 g/mol, XLogP of 27.91, 25 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-formyl-3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;1-[(2-chlorophenyl)methyl]piperazine;[2-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-cyclohexylindol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;methane is sourced from PubChem (CID 159623283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).