1-[1-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;N-[(3-methylphenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide

C84H99ClFN9O5 — CID 159983955

IUPAC1-[1-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;N-[(3-methylphenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide
SMILESCOc1cccc2c(C(C)=O)cn(CCCN3CCN(Cc4ccc(Cl)cc4)CC3)c12.COc1cccc2c(C(C)=O)cn(CCCN3CCN(c4ccc(F)cc4)CC3)c12.Cc1cccc(CNC(=O)c2cn(CCCN3C4CCC3CC(CCc3ccccc3)C4)c3ccccc23)c1
InChIInChI=1S/C35H41N3O.C25H30ClN3O2.C24H28FN3O2/c1-26-9-7-12-29(21-26)24-36-35(39)33-25-37(34-14-6-5-13-32(33)34)19-8-20-38-30-17-18-31(38)23-28(22-30)16-15-27-10-3-2-4-11-27;1-19(30)23-18-29(25-22(23)5-3-6-24(25)31-2)12-4-11-27-13-15-28(16-14-27)17-20-7-9-21(26)10-8-20;1-18(29)22-17-28(24-21(22)5-3-6-23(24)30-2)12-4-11-26-13-15-27(16-14-26)20-9-7-19(25)8-10-20/h2-7,9-14,21,25,28,30-31H,8,15-20,22-24H2,1H3,(H,36,39);3,5-10,18H,4,11-17H2,1-2H3;3,5-10,17H,4,11-16H2,1-2H3
InChIKeyOGCDCEOUNUAIGY-UHFFFAOYSA-N
MW1369.22 g/mol
LogP16.06
Rot. Bonds25

About 1-[1-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;N-[(3-methylphenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide

1-[1-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;N-[(3-methylphenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide (PubChem CID 159983955) has the molecular formula C84H99ClFN9O5 and a molecular weight of 1369.22 g/mol. Its IUPAC name is 1-[1-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;N-[(3-methylphenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-[1-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;N-[(3-methylphenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide
PubChem CID159983955
Molecular FormulaC84H99ClFN9O5
Molecular Weight1369.22 g/mol
Exact Mass1367.74
IUPAC Name1-[1-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;N-[(3-methylphenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide
SMILESCOc1cccc2c(C(C)=O)cn(CCCN3CCN(Cc4ccc(Cl)cc4)CC3)c12.COc1cccc2c(C(C)=O)cn(CCCN3CCN(c4ccc(F)cc4)CC3)c12.Cc1cccc(CNC(=O)c2cn(CCCN3C4CCC3CC(CCc3ccccc3)C4)c3ccccc23)c1
InChIInChI=1S/C35H41N3O.C25H30ClN3O2.C24H28FN3O2/c1-26-9-7-12-29(21-26)24-36-35(39)33-25-37(34-14-6-5-13-32(33)34)19-8-20-38-30-17-18-31(38)23-28(22-30)16-15-27-10-3-2-4-11-27;1-19(30)23-18-29(25-22(23)5-3-6-24(25)31-2)12-4-11-27-13-15-28(16-14-27)17-20-7-9-21(26)10-8-20;1-18(29)22-17-28(24-21(22)5-3-6-23(24)30-2)12-4-11-26-13-15-27(16-14-26)20-9-7-19(25)8-10-20/h2-7,9-14,21,25,28,30-31H,8,15-20,22-24H2,1H3,(H,36,39);3,5-10,18H,4,11-17H2,1-2H3;3,5-10,17H,4,11-16H2,1-2H3
InChIKeyOGCDCEOUNUAIGY-UHFFFAOYSA-N
XLogP16.06
TPSA112.69 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds25
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001369.22
LogP ≤ 516.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 1-[1-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;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

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]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide
CID 58967651
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
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
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-[5-[2-(4-fluorophenoxy)ethyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]propyl]-N-[(3-methylphenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide
CID 58967901
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

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;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 1-[1-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;N-[(3-methylphenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide (CID 159983955) is 1-[1-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;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 1-[1-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;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 1-[1-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;N-[(3-methylphenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide is COc1cccc2c(C(C)=O)cn(CCCN3CCN(Cc4ccc(Cl)cc4)CC3)c12.COc1cccc2c(C(C)=O)cn(CCCN3CCN(c4ccc(F)cc4)CC3)c12.Cc1cccc(CNC(=O)c2cn(CCCN3C4CCC3CC(CCc3ccccc3)C4)c3ccccc23)c1.
What is the InChIKey of 1-[1-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;N-[(3-methylphenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide?
The InChIKey is OGCDCEOUNUAIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41N3O.C25H30ClN3O2.C24H28FN3O2/c1-26-9-7-12-29(21-26)24-36-35(39)33-25-37(34-14-6-5-13-32(33)34)19-8-20-38-30-17-18-31(38)23-28(22-30)16-15-27-10-3-2-4-11-27;1-19(30)23-18-29(25-22(23)5-3-6-24(25)31-2)12-4-11-27-13-15-28(16-14-27)17-20-7-9-21(26)10-8-20;1-18(29)22-17-28(24-21(22)5-3-6-23(24)30-2)12-4-11-26-13-15-27(16-14-26)20-9-7-19(25)8-10-20/h2-7,9-14,21,25,28,30-31H,8,15-20,22-24H2,1H3,(H,36,39);3,5-10,18H,4,11-17H2,1-2H3;3,5-10,17H,4,11-16H2,1-2H3.
What are the key properties of 1-[1-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;N-[(3-methylphenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide?
1-[1-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;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 1369.22 g/mol, XLogP of 16.06, 25 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;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 159983955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).