1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-(2-phenoxyethylamino)propyl]indole-3-carboxamide

C122H132Cl5F2N13O11 — CID 158331069

IUPAC1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-(2-phenoxyethylamino)propyl]indole-3-carboxamide
SMILESCOc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCN3CCC(Oc4ccc(Cl)cc4)CC3)c12.COc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCN3CCC(Oc4ccc(F)cc4)CC3)c12.COc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCN3CCCN(Cc4ccc(F)cc4)CC3)c12.COc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCNCCOc3ccccc3)c12
InChIInChI=1S/C32H36ClFN4O2.C31H33Cl2N3O3.C31H33ClFN3O3.C28H30ClN3O3/c1-40-30-9-3-8-28-29(32(39)35-21-25-6-2-7-26(33)20-25)23-38(31(28)30)17-5-15-36-14-4-16-37(19-18-36)22-24-10-12-27(34)13-11-24;1-38-29-8-3-7-27-28(31(37)34-20-22-5-2-6-24(33)19-22)21-36(30(27)29)16-4-15-35-17-13-26(14-18-35)39-25-11-9-23(32)10-12-25;1-38-29-8-3-7-27-28(31(37)34-20-22-5-2-6-23(32)19-22)21-36(30(27)29)16-4-15-35-17-13-26(14-18-35)39-25-11-9-24(33)10-12-25;1-34-26-13-6-12-24-25(28(33)31-19-21-8-5-9-22(29)18-21)20-32(27(24)26)16-7-14-30-15-17-35-23-10-3-2-4-11-23/h2-3,6-13,20,23H,4-5,14-19,21-22H2,1H3,(H,35,39);2*2-3,5-12,19,21,26H,4,13-18,20H2,1H3,(H,34,37);2-6,8-13,18,20,30H,7,14-17,19H2,1H3,(H,31,33)
InChIKeyGQACHCROHUQHDU-UHFFFAOYSA-N
MW2171.74 g/mol
LogP24.39
Rot. Bonds42

About 1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-(2-phenoxyethylamino)propyl]indole-3-carboxamide

1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-(2-phenoxyethylamino)propyl]indole-3-carboxamide (PubChem CID 158331069) has the molecular formula C122H132Cl5F2N13O11 and a molecular weight of 2171.74 g/mol. Its IUPAC name is 1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-(2-phenoxyethylamino)propyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-(2-phenoxyethylamino)propyl]indole-3-carboxamide
PubChem CID158331069
Molecular FormulaC122H132Cl5F2N13O11
Molecular Weight2171.74 g/mol
Exact Mass2167.86
IUPAC Name1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-(2-phenoxyethylamino)propyl]indole-3-carboxamide
SMILESCOc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCN3CCC(Oc4ccc(Cl)cc4)CC3)c12.COc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCN3CCC(Oc4ccc(F)cc4)CC3)c12.COc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCN3CCCN(Cc4ccc(F)cc4)CC3)c12.COc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCNCCOc3ccccc3)c12
InChIInChI=1S/C32H36ClFN4O2.C31H33Cl2N3O3.C31H33ClFN3O3.C28H30ClN3O3/c1-40-30-9-3-8-28-29(32(39)35-21-25-6-2-7-26(33)20-25)23-38(31(28)30)17-5-15-36-14-4-16-37(19-18-36)22-24-10-12-27(34)13-11-24;1-38-29-8-3-7-27-28(31(37)34-20-22-5-2-6-24(33)19-22)21-36(30(27)29)16-4-15-35-17-13-26(14-18-35)39-25-11-9-23(32)10-12-25;1-38-29-8-3-7-27-28(31(37)34-20-22-5-2-6-23(32)19-22)21-36(30(27)29)16-4-15-35-17-13-26(14-18-35)39-25-11-9-24(33)10-12-25;1-34-26-13-6-12-24-25(28(33)31-19-21-8-5-9-22(29)18-21)20-32(27(24)26)16-7-14-30-15-17-35-23-10-3-2-4-11-23/h2-3,6-13,20,23H,4-5,14-19,21-22H2,1H3,(H,35,39);2*2-3,5-12,19,21,26H,4,13-18,20H2,1H3,(H,34,37);2-6,8-13,18,20,30H,7,14-17,19H2,1H3,(H,31,33)
InChIKeyGQACHCROHUQHDU-UHFFFAOYSA-N
XLogP24.39
TPSA225.72 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds42
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002171.74
LogP ≤ 524.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-(2-phenoxyethylamino)propyl]indole-3-carboxamide with MolForge

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Related Compounds

1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-7-methoxyindole-3-carboxamide
CID 68283980
1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide
CID 58967593
N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-[2-(4-fluorophenoxy)ethyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindole-3-carboxamide
CID 58967595
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
1-[3-[4-[(2-chloro-6-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide
CID 58967650
1-[3-[4-[(2-chloro-6-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-N-[(3,4-dichlorophenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide
CID 58967657
1-[3-[(1R,5S)-3-[2-(4-fluorophenoxy)ethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(2-methylphenyl)methyl]indole-3-carboxamide
CID 58967664
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
1-[3-[(1R,5S)-3-[2-(4-fluorophenoxy)ethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3-methylphenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide
CID 58967671
N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-[2-(4-fluorophenoxy)ethyl]-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide
CID 58967729
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

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-(2-phenoxyethylamino)propyl]indole-3-carboxamide?
The IUPAC name of 1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-(2-phenoxyethylamino)propyl]indole-3-carboxamide (CID 158331069) is 1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-(2-phenoxyethylamino)propyl]indole-3-carboxamide.
What is the SMILES notation for 1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-(2-phenoxyethylamino)propyl]indole-3-carboxamide?
The canonical SMILES for 1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-(2-phenoxyethylamino)propyl]indole-3-carboxamide is COc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCN3CCC(Oc4ccc(Cl)cc4)CC3)c12.COc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCN3CCC(Oc4ccc(F)cc4)CC3)c12.COc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCN3CCCN(Cc4ccc(F)cc4)CC3)c12.COc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCNCCOc3ccccc3)c12.
What is the InChIKey of 1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-(2-phenoxyethylamino)propyl]indole-3-carboxamide?
The InChIKey is GQACHCROHUQHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36ClFN4O2.C31H33Cl2N3O3.C31H33ClFN3O3.C28H30ClN3O3/c1-40-30-9-3-8-28-29(32(39)35-21-25-6-2-7-26(33)20-25)23-38(31(28)30)17-5-15-36-14-4-16-37(19-18-36)22-24-10-12-27(34)13-11-24;1-38-29-8-3-7-27-28(31(37)34-20-22-5-2-6-24(33)19-22)21-36(30(27)29)16-4-15-35-17-13-26(14-18-35)39-25-11-9-23(32)10-12-25;1-38-29-8-3-7-27-28(31(37)34-20-22-5-2-6-23(32)19-22)21-36(30(27)29)16-4-15-35-17-13-26(14-18-35)39-25-11-9-24(33)10-12-25;1-34-26-13-6-12-24-25(28(33)31-19-21-8-5-9-22(29)18-21)20-32(27(24)26)16-7-14-30-15-17-35-23-10-3-2-4-11-23/h2-3,6-13,20,23H,4-5,14-19,21-22H2,1H3,(H,35,39);2*2-3,5-12,19,21,26H,4,13-18,20H2,1H3,(H,34,37);2-6,8-13,18,20,30H,7,14-17,19H2,1H3,(H,31,33).
What are the key properties of 1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-(2-phenoxyethylamino)propyl]indole-3-carboxamide?
1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-(2-phenoxyethylamino)propyl]indole-3-carboxamide has a molecular weight of 2171.74 g/mol, XLogP of 24.39, 42 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-(2-phenoxyethylamino)propyl]indole-3-carboxamide is sourced from PubChem (CID 158331069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).