7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide

C103H121N11O8 — CID 158010148

IUPAC7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide
SMILESCOc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3C4CCC3CC(CCc3ccccc3)C4)c12.COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3CCC(N4C(=O)Cc5ccccc54)CC3)c12.COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3CCN(CCOc4ccccc4)CC3)c12
InChIInChI=1S/C36H43N3O2.C34H38N4O3.C33H40N4O3/c1-26-9-6-12-29(21-26)24-37-36(40)33-25-38(35-32(33)13-7-14-34(35)41-2)19-8-20-39-30-17-18-31(39)23-28(22-30)16-15-27-10-4-3-5-11-27;1-24-8-5-9-25(20-24)22-35-34(40)29-23-37(33-28(29)11-6-13-31(33)41-2)17-7-16-36-18-14-27(15-19-36)38-30-12-4-3-10-26(30)21-32(38)39;1-26-9-6-10-27(23-26)24-34-33(38)30-25-37(32-29(30)13-7-14-31(32)39-2)16-8-15-35-17-19-36(20-18-35)21-22-40-28-11-4-3-5-12-28/h3-7,9-14,21,25,28,30-31H,8,15-20,22-24H2,1-2H3,(H,37,40);3-6,8-13,20,23,27H,7,14-19,21-22H2,1-2H3,(H,35,40);3-7,9-14,23,25H,8,15-22,24H2,1-2H3,(H,34,38)
InChIKeyFETZNEDIGYHMRL-UHFFFAOYSA-N
MW1641.17 g/mol
LogP17.46
Rot. Bonds32

About 7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide

7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide (PubChem CID 158010148) has the molecular formula C103H121N11O8 and a molecular weight of 1641.17 g/mol. Its IUPAC name is 7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide
PubChem CID158010148
Molecular FormulaC103H121N11O8
Molecular Weight1641.17 g/mol
Exact Mass1639.94
IUPAC Name7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide
SMILESCOc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3C4CCC3CC(CCc3ccccc3)C4)c12.COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3CCC(N4C(=O)Cc5ccccc54)CC3)c12.COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3CCN(CCOc4ccccc4)CC3)c12
InChIInChI=1S/C36H43N3O2.C34H38N4O3.C33H40N4O3/c1-26-9-6-12-29(21-26)24-37-36(40)33-25-38(35-32(33)13-7-14-34(35)41-2)19-8-20-39-30-17-18-31(39)23-28(22-30)16-15-27-10-4-3-5-11-27;1-24-8-5-9-25(20-24)22-35-34(40)29-23-37(33-28(29)11-6-13-31(33)41-2)17-7-16-36-18-14-27(15-19-36)38-30-12-4-3-10-26(30)21-32(38)39;1-26-9-6-10-27(23-26)24-34-33(38)30-25-37(32-29(30)13-7-14-31(32)39-2)16-8-15-35-17-19-36(20-18-35)21-22-40-28-11-4-3-5-12-28/h3-7,9-14,21,25,28,30-31H,8,15-20,22-24H2,1-2H3,(H,37,40);3-6,8-13,20,23,27H,7,14-19,21-22H2,1-2H3,(H,35,40);3-7,9-14,23,25H,8,15-22,24H2,1-2H3,(H,34,38)
InChIKeyFETZNEDIGYHMRL-UHFFFAOYSA-N
XLogP17.46
TPSA172.28 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds32
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001641.17
LogP ≤ 517.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide with MolForge

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Related Compounds

[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[(11R)-11-cyclohexyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]methanone
CID 11201613
[(11R)-11-cyclohexyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-[(3R,5S)-3,5-dimethylpiperazin-1-yl]methanone
CID 49862617
[(11R)-11-cyclohexyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
CID 49862667
[(11R)-11-cyclohexyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-[(2R,6S)-2,6-dimethylpiperazin-1-yl]methanone
CID 49862753
N-(1-adamantyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indole-3-carboxamide
CID 137644344
6-Methoxy-5-(2-morpholin-4-ylethyl)-2-[phenyl(pyridin-2-yl)methyl]pyrido[4,3-b]indol-1-one
CID 10939965
[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[(11S)-11-cyclohexyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]methanone
CID 52941335
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
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
1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide
CID 58967732
1-[3-[5-[2-(4-fluorophenoxy)ethyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]propyl]-7-methoxy-N-[(2-methylphenyl)methyl]indole-3-carboxamide
CID 58967768
1-[3-[5-[2-(4-fluorophenoxy)ethyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide
CID 58967842

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide?
The IUPAC name of 7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide (CID 158010148) is 7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide.
What is the SMILES notation for 7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide?
The canonical SMILES for 7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide is COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3C4CCC3CC(CCc3ccccc3)C4)c12.COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3CCC(N4C(=O)Cc5ccccc54)CC3)c12.COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3CCN(CCOc4ccccc4)CC3)c12.
What is the InChIKey of 7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide?
The InChIKey is FETZNEDIGYHMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H43N3O2.C34H38N4O3.C33H40N4O3/c1-26-9-6-12-29(21-26)24-37-36(40)33-25-38(35-32(33)13-7-14-34(35)41-2)19-8-20-39-30-17-18-31(39)23-28(22-30)16-15-27-10-4-3-5-11-27;1-24-8-5-9-25(20-24)22-35-34(40)29-23-37(33-28(29)11-6-13-31(33)41-2)17-7-16-36-18-14-27(15-19-36)38-30-12-4-3-10-26(30)21-32(38)39;1-26-9-6-10-27(23-26)24-34-33(38)30-25-37(32-29(30)13-7-14-31(32)39-2)16-8-15-35-17-19-36(20-18-35)21-22-40-28-11-4-3-5-12-28/h3-7,9-14,21,25,28,30-31H,8,15-20,22-24H2,1-2H3,(H,37,40);3-6,8-13,20,23,27H,7,14-19,21-22H2,1-2H3,(H,35,40);3-7,9-14,23,25H,8,15-22,24H2,1-2H3,(H,34,38).
What are the key properties of 7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide?
7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide has a molecular weight of 1641.17 g/mol, XLogP of 17.46, 32 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide is sourced from PubChem (CID 158010148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).