1-[1-[3-(4-benzylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;7-methoxy-N-(2-methylpropyl)-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide

C108H136ClFN10O9 — CID 158492397

IUPAC1-[1-[3-(4-benzylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;7-methoxy-N-(2-methylpropyl)-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide
SMILESCC(C)CC(=O)c1cn(CCCN2CCC(Oc3ccc(F)cc3)CC2)c2ccccc12.COc1cccc2c(C(=O)NCC(C)C)cn(CCCN3CCCN(CCc4ccccc4)CC3)c12.COc1cccc2c(C(C)=O)cn(CCCN3CCC(Cc4ccccc4)CC3)c12.COc1cccc2c(C(C)=O)cn(CCCN3CCC(Oc4ccccc4Cl)CC3)c12
InChIInChI=1S/C30H42N4O2.C27H33FN2O2.C26H32N2O2.C25H29ClN2O3/c1-24(2)22-31-30(35)27-23-34(29-26(27)12-7-13-28(29)36-3)18-9-17-32-15-8-16-33(21-20-32)19-14-25-10-5-4-6-11-25;1-20(2)18-27(31)25-19-30(26-7-4-3-6-24(25)26)15-5-14-29-16-12-23(13-17-29)32-22-10-8-21(28)9-11-22;1-20(29)24-19-28(26-23(24)10-6-11-25(26)30-2)15-7-14-27-16-12-22(13-17-27)18-21-8-4-3-5-9-21;1-18(29)21-17-28(25-20(21)7-5-10-24(25)30-2)14-6-13-27-15-11-19(12-16-27)31-23-9-4-3-8-22(23)26/h4-7,10-13,23-24H,8-9,14-22H2,1-3H3,(H,31,35);3-4,6-11,19-20,23H,5,12-18H2,1-2H3;3-6,8-11,19,22H,7,12-18H2,1-2H3;3-5,7-10,17,19H,6,11-16H2,1-2H3
InChIKeyHIVYHYJKMIHGJL-UHFFFAOYSA-N
MW1772.79 g/mol
LogP21.26
Rot. Bonds36

About 1-[1-[3-(4-benzylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;7-methoxy-N-(2-methylpropyl)-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide

1-[1-[3-(4-benzylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;7-methoxy-N-(2-methylpropyl)-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide (PubChem CID 158492397) has the molecular formula C108H136ClFN10O9 and a molecular weight of 1772.79 g/mol. Its IUPAC name is 1-[1-[3-(4-benzylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;7-methoxy-N-(2-methylpropyl)-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-[1-[3-(4-benzylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;7-methoxy-N-(2-methylpropyl)-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide
PubChem CID158492397
Molecular FormulaC108H136ClFN10O9
Molecular Weight1772.79 g/mol
Exact Mass1771.02
IUPAC Name1-[1-[3-(4-benzylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;7-methoxy-N-(2-methylpropyl)-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide
SMILESCC(C)CC(=O)c1cn(CCCN2CCC(Oc3ccc(F)cc3)CC2)c2ccccc12.COc1cccc2c(C(=O)NCC(C)C)cn(CCCN3CCCN(CCc4ccccc4)CC3)c12.COc1cccc2c(C(C)=O)cn(CCCN3CCC(Cc4ccccc4)CC3)c12.COc1cccc2c(C(C)=O)cn(CCCN3CCC(Oc4ccccc4Cl)CC3)c12
InChIInChI=1S/C30H42N4O2.C27H33FN2O2.C26H32N2O2.C25H29ClN2O3/c1-24(2)22-31-30(35)27-23-34(29-26(27)12-7-13-28(29)36-3)18-9-17-32-15-8-16-33(21-20-32)19-14-25-10-5-4-6-11-25;1-20(2)18-27(31)25-19-30(26-7-4-3-6-24(25)26)15-5-14-29-16-12-23(13-17-29)32-22-10-8-21(28)9-11-22;1-20(29)24-19-28(26-23(24)10-6-11-25(26)30-2)15-7-14-27-16-12-22(13-17-27)18-21-8-4-3-5-9-21;1-18(29)21-17-28(25-20(21)7-5-10-24(25)30-2)14-6-13-27-15-11-19(12-16-27)31-23-9-4-3-8-22(23)26/h4-7,10-13,23-24H,8-9,14-22H2,1-3H3,(H,31,35);3-4,6-11,19-20,23H,5,12-18H2,1-2H3;3-6,8-11,19,22H,7,12-18H2,1-2H3;3-5,7-10,17,19H,6,11-16H2,1-2H3
InChIKeyHIVYHYJKMIHGJL-UHFFFAOYSA-N
XLogP21.26
TPSA162.38 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds36
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001772.79
LogP ≤ 521.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Analyze 1-[1-[3-(4-benzylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;7-methoxy-N-(2-methylpropyl)-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-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-[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-[4-[(2-chloro-6-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-N-[(3-methylphenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide
CID 58967904
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-[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
N-[(3,4-dichlorophenyl)methyl]-1-[3-[(1R,5S)-3-[2-(4-fluorophenoxy)ethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide
CID 58968177
1-[3-[3-[2-(3-chloro-4-fluorophenyl)-2-oxoethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3-methylphenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide
CID 58968412
N-[(3,4-dichlorophenyl)methyl]-1-[3-[(1R,5S)-3-[2-(4-fluorophenoxy)ethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindole-3-carboxamide
CID 58968472
1-[3-[3-[2-(3-chlorophenyl)-2-oxoethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide
CID 58968487

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(4-benzylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;7-methoxy-N-(2-methylpropyl)-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide?
The IUPAC name of 1-[1-[3-(4-benzylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;7-methoxy-N-(2-methylpropyl)-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide (CID 158492397) is 1-[1-[3-(4-benzylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;7-methoxy-N-(2-methylpropyl)-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide.
What is the SMILES notation for 1-[1-[3-(4-benzylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;7-methoxy-N-(2-methylpropyl)-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide?
The canonical SMILES for 1-[1-[3-(4-benzylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;7-methoxy-N-(2-methylpropyl)-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide is CC(C)CC(=O)c1cn(CCCN2CCC(Oc3ccc(F)cc3)CC2)c2ccccc12.COc1cccc2c(C(=O)NCC(C)C)cn(CCCN3CCCN(CCc4ccccc4)CC3)c12.COc1cccc2c(C(C)=O)cn(CCCN3CCC(Cc4ccccc4)CC3)c12.COc1cccc2c(C(C)=O)cn(CCCN3CCC(Oc4ccccc4Cl)CC3)c12.
What is the InChIKey of 1-[1-[3-(4-benzylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;7-methoxy-N-(2-methylpropyl)-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide?
The InChIKey is HIVYHYJKMIHGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N4O2.C27H33FN2O2.C26H32N2O2.C25H29ClN2O3/c1-24(2)22-31-30(35)27-23-34(29-26(27)12-7-13-28(29)36-3)18-9-17-32-15-8-16-33(21-20-32)19-14-25-10-5-4-6-11-25;1-20(2)18-27(31)25-19-30(26-7-4-3-6-24(25)26)15-5-14-29-16-12-23(13-17-29)32-22-10-8-21(28)9-11-22;1-20(29)24-19-28(26-23(24)10-6-11-25(26)30-2)15-7-14-27-16-12-22(13-17-27)18-21-8-4-3-5-9-21;1-18(29)21-17-28(25-20(21)7-5-10-24(25)30-2)14-6-13-27-15-11-19(12-16-27)31-23-9-4-3-8-22(23)26/h4-7,10-13,23-24H,8-9,14-22H2,1-3H3,(H,31,35);3-4,6-11,19-20,23H,5,12-18H2,1-2H3;3-6,8-11,19,22H,7,12-18H2,1-2H3;3-5,7-10,17,19H,6,11-16H2,1-2H3.
What are the key properties of 1-[1-[3-(4-benzylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;7-methoxy-N-(2-methylpropyl)-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide?
1-[1-[3-(4-benzylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;7-methoxy-N-(2-methylpropyl)-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide has a molecular weight of 1772.79 g/mol, XLogP of 21.26, 36 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(4-benzylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;7-methoxy-N-(2-methylpropyl)-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide is sourced from PubChem (CID 158492397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).