[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide

C85H102Cl2N8O9 — CID 159130429

IUPAC[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide
SMILESCOc1cccc2c(C(=O)c3ccccc3)cn(CCCN3CCN(CCOc4ccc(Cl)cc4)CC3)c12.COc1cccc2c(C(C)=O)cn(CCCN3CCC(Oc4ccc(Cl)cc4)CC3)c12.COc1ccccc1C1CCN(CCCn2cc(C(=O)NCC(C)C)c3cccc(OC)c32)CC1
InChIInChI=1S/C31H34ClN3O3.C29H39N3O3.C25H29ClN2O3/c1-37-29-10-5-9-27-28(31(36)24-7-3-2-4-8-24)23-35(30(27)29)16-6-15-33-17-19-34(20-18-33)21-22-38-26-13-11-25(32)12-14-26;1-21(2)19-30-29(33)25-20-32(28-24(25)10-7-12-27(28)35-4)16-8-15-31-17-13-22(14-18-31)23-9-5-6-11-26(23)34-3;1-18(29)23-17-28(25-22(23)5-3-6-24(25)30-2)14-4-13-27-15-11-21(12-16-27)31-20-9-7-19(26)8-10-20/h2-5,7-14,23H,6,15-22H2,1H3;5-7,9-12,20-22H,8,13-19H2,1-4H3,(H,30,33);3,5-10,17,21H,4,11-16H2,1-2H3
InChIKeyKGUZHUMOSHOUHD-UHFFFAOYSA-N
MW1450.70 g/mol
LogP16.37
Rot. Bonds29

About [1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide

[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide (PubChem CID 159130429) has the molecular formula C85H102Cl2N8O9 and a molecular weight of 1450.70 g/mol. Its IUPAC name is [1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide.

Molecular Properties

Compound Name[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide
PubChem CID159130429
Molecular FormulaC85H102Cl2N8O9
Molecular Weight1450.70 g/mol
Exact Mass1448.71
IUPAC Name[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide
SMILESCOc1cccc2c(C(=O)c3ccccc3)cn(CCCN3CCN(CCOc4ccc(Cl)cc4)CC3)c12.COc1cccc2c(C(C)=O)cn(CCCN3CCC(Oc4ccc(Cl)cc4)CC3)c12.COc1ccccc1C1CCN(CCCn2cc(C(=O)NCC(C)C)c3cccc(OC)c32)CC1
InChIInChI=1S/C31H34ClN3O3.C29H39N3O3.C25H29ClN2O3/c1-37-29-10-5-9-27-28(31(36)24-7-3-2-4-8-24)23-35(30(27)29)16-6-15-33-17-19-34(20-18-33)21-22-38-26-13-11-25(32)12-14-26;1-21(2)19-30-29(33)25-20-32(28-24(25)10-7-12-27(28)35-4)16-8-15-31-17-13-22(14-18-31)23-9-5-6-11-26(23)34-3;1-18(29)23-17-28(25-22(23)5-3-6-24(25)30-2)14-4-13-27-15-11-21(12-16-27)31-20-9-7-19(26)8-10-20/h2-5,7-14,23H,6,15-22H2,1H3;5-7,9-12,20-22H,8,13-19H2,1-4H3,(H,30,33);3,5-10,17,21H,4,11-16H2,1-2H3
InChIKeyKGUZHUMOSHOUHD-UHFFFAOYSA-N
XLogP16.37
TPSA146.37 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds29
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001450.70
LogP ≤ 516.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze [1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide with MolForge

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Related Compounds

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-[(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
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
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
N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindole-3-carboxamide
CID 58967942
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-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide?
The IUPAC name of [1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide (CID 159130429) is [1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide.
What is the SMILES notation for [1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide?
The canonical SMILES for [1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide is COc1cccc2c(C(=O)c3ccccc3)cn(CCCN3CCN(CCOc4ccc(Cl)cc4)CC3)c12.COc1cccc2c(C(C)=O)cn(CCCN3CCC(Oc4ccc(Cl)cc4)CC3)c12.COc1ccccc1C1CCN(CCCn2cc(C(=O)NCC(C)C)c3cccc(OC)c32)CC1.
What is the InChIKey of [1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide?
The InChIKey is KGUZHUMOSHOUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34ClN3O3.C29H39N3O3.C25H29ClN2O3/c1-37-29-10-5-9-27-28(31(36)24-7-3-2-4-8-24)23-35(30(27)29)16-6-15-33-17-19-34(20-18-33)21-22-38-26-13-11-25(32)12-14-26;1-21(2)19-30-29(33)25-20-32(28-24(25)10-7-12-27(28)35-4)16-8-15-31-17-13-22(14-18-31)23-9-5-6-11-26(23)34-3;1-18(29)23-17-28(25-22(23)5-3-6-24(25)30-2)14-4-13-27-15-11-21(12-16-27)31-20-9-7-19(26)8-10-20/h2-5,7-14,23H,6,15-22H2,1H3;5-7,9-12,20-22H,8,13-19H2,1-4H3,(H,30,33);3,5-10,17,21H,4,11-16H2,1-2H3.
What are the key properties of [1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide?
[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide has a molecular weight of 1450.70 g/mol, XLogP of 16.37, 29 rotatable bonds, 1 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]-7-methoxyindol-3-yl]-phenylmethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide is sourced from PubChem (CID 159130429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).