1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide

C101H115Cl4N11O8 — CID 158184906

IUPAC1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide
SMILESCOc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3CCCN(CCc4ccccc4)CC3)c12.COc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCN3C4CCC3CC(CC(=O)c3ccc(Cl)cc3)C4)c12.COc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCN3CCN(CCOc4ccc(Cl)cc4)CC3)c12
InChIInChI=1S/C35H37Cl2N3O3.C34H42N4O2.C32H36Cl2N4O3/c1-43-33-8-3-7-30-31(35(42)38-21-23-5-2-6-27(37)17-23)22-39(34(30)33)15-4-16-40-28-13-14-29(40)19-24(18-28)20-32(41)25-9-11-26(36)12-10-25;1-27-10-6-13-29(24-27)25-35-34(39)31-26-38(33-30(31)14-7-15-32(33)40-2)20-9-19-36-17-8-18-37(23-22-36)21-16-28-11-4-3-5-12-28;1-40-30-8-3-7-28-29(32(39)35-22-24-5-2-6-26(34)21-24)23-38(31(28)30)14-4-13-36-15-17-37(18-16-36)19-20-41-27-11-9-25(33)10-12-27/h2-3,5-12,17,22,24,28-29H,4,13-16,18-21H2,1H3,(H,38,42);3-7,10-15,24,26H,8-9,16-23,25H2,1-2H3,(H,35,39);2-3,5-12,21,23H,4,13-20,22H2,1H3,(H,35,39)
InChIKeyFZAJPCFKTYMPCZ-UHFFFAOYSA-N
MW1752.91 g/mol
LogP19.30
Rot. Bonds34

About 1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide

1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide (PubChem CID 158184906) has the molecular formula C101H115Cl4N11O8 and a molecular weight of 1752.91 g/mol. Its IUPAC name is 1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide
PubChem CID158184906
Molecular FormulaC101H115Cl4N11O8
Molecular Weight1752.91 g/mol
Exact Mass1749.77
IUPAC Name1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide
SMILESCOc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3CCCN(CCc4ccccc4)CC3)c12.COc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCN3C4CCC3CC(CC(=O)c3ccc(Cl)cc3)C4)c12.COc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCN3CCN(CCOc4ccc(Cl)cc4)CC3)c12
InChIInChI=1S/C35H37Cl2N3O3.C34H42N4O2.C32H36Cl2N4O3/c1-43-33-8-3-7-30-31(35(42)38-21-23-5-2-6-27(37)17-23)22-39(34(30)33)15-4-16-40-28-13-14-29(40)19-24(18-28)20-32(41)25-9-11-26(36)12-10-25;1-27-10-6-13-29(24-27)25-35-34(39)31-26-38(33-30(31)14-7-15-32(33)40-2)20-9-19-36-17-8-18-37(23-22-36)21-16-28-11-4-3-5-12-28;1-40-30-8-3-7-28-29(32(39)35-22-24-5-2-6-26(34)21-24)23-38(31(28)30)14-4-13-36-15-17-37(18-16-36)19-20-41-27-11-9-25(33)10-12-27/h2-3,5-12,17,22,24,28-29H,4,13-16,18-21H2,1H3,(H,38,42);3-7,10-15,24,26H,8-9,16-23,25H2,1-2H3,(H,35,39);2-3,5-12,21,23H,4,13-20,22H2,1H3,(H,35,39)
InChIKeyFZAJPCFKTYMPCZ-UHFFFAOYSA-N
XLogP19.30
TPSA172.28 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds34
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001752.91
LogP ≤ 519.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Analyze 1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide with MolForge

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-1-[3-[(1R,4R)-5-[2-(4-fluorophenoxy)ethyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide
CID 58967613
N-[(3,4-dichlorophenyl)methyl]-1-[3-[5-[2-(4-fluorophenoxy)ethyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]propyl]-7-methoxyindole-3-carboxamide
CID 58967670
N-[(3-chlorophenyl)methyl]-1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindole-3-carboxamide
CID 58967737
N-[(3,4-dichlorophenyl)methyl]-1-[3-[5-[2-(4-fluorophenoxy)ethyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide
CID 58967749
N-[(3,4-dichlorophenyl)methyl]-1-[3-[(1R,4R)-5-[2-(4-fluorophenoxy)ethyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]propyl]-7-methoxyindole-3-carboxamide
CID 58967761
N-[(3,4-dichlorophenyl)methyl]-1-[3-[3-[2-(4-fluorophenoxy)ethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide
CID 58967847
1-[3-[(1R,5S)-3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide
CID 58967930
N-[(3,4-dichlorophenyl)methyl]-1-[3-[3-[2-(4-fluorophenoxy)ethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindole-3-carboxamide
CID 58967961
1-[3-[(1R,5S)-3-[2-(3,4-dichlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide
CID 58967962
1-[3-[(1R,5S)-3-[2-(3-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide
CID 58968012
1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide
CID 58968064
1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide
CID 58968146

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide?
The IUPAC name of 1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide (CID 158184906) is 1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide.
What is the SMILES notation for 1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide?
The canonical SMILES for 1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide is COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3CCCN(CCc4ccccc4)CC3)c12.COc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCN3C4CCC3CC(CC(=O)c3ccc(Cl)cc3)C4)c12.COc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCN3CCN(CCOc4ccc(Cl)cc4)CC3)c12.
What is the InChIKey of 1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide?
The InChIKey is FZAJPCFKTYMPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37Cl2N3O3.C34H42N4O2.C32H36Cl2N4O3/c1-43-33-8-3-7-30-31(35(42)38-21-23-5-2-6-27(37)17-23)22-39(34(30)33)15-4-16-40-28-13-14-29(40)19-24(18-28)20-32(41)25-9-11-26(36)12-10-25;1-27-10-6-13-29(24-27)25-35-34(39)31-26-38(33-30(31)14-7-15-32(33)40-2)20-9-19-36-17-8-18-37(23-22-36)21-16-28-11-4-3-5-12-28;1-40-30-8-3-7-28-29(32(39)35-22-24-5-2-6-26(34)21-24)23-38(31(28)30)14-4-13-36-15-17-37(18-16-36)19-20-41-27-11-9-25(33)10-12-27/h2-3,5-12,17,22,24,28-29H,4,13-16,18-21H2,1H3,(H,38,42);3-7,10-15,24,26H,8-9,16-23,25H2,1-2H3,(H,35,39);2-3,5-12,21,23H,4,13-20,22H2,1H3,(H,35,39).
What are the key properties of 1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide?
1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide has a molecular weight of 1752.91 g/mol, XLogP of 19.30, 34 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide is sourced from PubChem (CID 158184906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).