1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[7-chloro-1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]indol-3-yl]ethanone

C105H124Cl2F3N13O8S — CID 161812389

IUPAC1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[7-chloro-1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]indol-3-yl]ethanone
SMILESCC1=C(C(=CC=C1)C)N2CCN(CC2)CCCN3C=C(C4=C3C(=CC=C4)OC)C(=O)C.CC(C)CNC(=O)C1=CN(C2=C1C=CC=C2OC)CCCN3CCC(CC3)C4=NC5=CC=CC=C5S4.CC(=O)C1=CN(C2=C1C=CC=C2OC)CCCN3CCN(CC3)C4=C(C=CC=N4)C(F)(F)F.CC(=O)C1=CN(C2=C1C=CC=C2Cl)CCCN3C4CCC3CC(C4)OC5=CC=C(C=C5)Cl
InChIInChI=1S/C29H36N4O2S.C26H28Cl2N2O2.C26H33N3O2.C24H27F3N4O2/c1-20(2)18-30-28(34)23-19-33(27-22(23)8-6-10-25(27)35-3)15-7-14-32-16-12-21(13-17-32)29-31-24-9-4-5-11-26(24)36-29;1-17(31)24-16-29(26-23(24)4-2-5-25(26)28)12-3-13-30-19-8-9-20(30)15-22(14-19)32-21-10-6-18(27)7-11-21;1-19-8-5-9-20(2)25(19)28-16-14-27(15-17-28)12-7-13-29-18-23(21(3)30)22-10-6-11-24(31-4)26(22)29;1-17(32)19-16-31(22-18(19)6-3-8-21(22)33-2)11-5-10-29-12-14-30(15-13-29)23-20(24(25,26)27)7-4-9-28-23/h4-6,8-11,19-21H,7,12-18H2,1-3H3,(H,30,34);2,4-7,10-11,16,19-20,22H,3,8-9,12-15H2,1H3;5-6,8-11,18H,7,12-17H2,1-4H3;3-4,6-9,16H,5,10-15H2,1-2H3
InChIKeyXUDDEJARCYTZLF-UHFFFAOYSA-N
MW1856.20 g/mol
LogP—
Rot. Bonds30

About 1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[7-chloro-1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]indol-3-yl]ethanone

1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[7-chloro-1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]indol-3-yl]ethanone (PubChem CID 161812389) has the molecular formula C105H124Cl2F3N13O8S and a molecular weight of 1856.20 g/mol. Its IUPAC name is 1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[7-chloro-1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[7-chloro-1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]indol-3-yl]ethanone
PubChem CID161812389
Molecular FormulaC105H124Cl2F3N13O8S
Molecular Weight1856.20 g/mol
Exact Mass1854.88
IUPAC Name1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[7-chloro-1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]indol-3-yl]ethanone
SMILESCC1=C(C(=CC=C1)C)N2CCN(CC2)CCCN3C=C(C4=C3C(=CC=C4)OC)C(=O)C.CC(C)CNC(=O)C1=CN(C2=C1C=CC=C2OC)CCCN3CCC(CC3)C4=NC5=CC=CC=C5S4.CC(=O)C1=CN(C2=C1C=CC=C2OC)CCCN3CCN(CC3)C4=C(C=CC=N4)C(F)(F)F.CC(=O)C1=CN(C2=C1C=CC=C2Cl)CCCN3C4CCC3CC(C4)OC5=CC=C(C=C5)Cl
InChIInChI=1S/C29H36N4O2S.C26H28Cl2N2O2.C26H33N3O2.C24H27F3N4O2/c1-20(2)18-30-28(34)23-19-33(27-22(23)8-6-10-25(27)35-3)15-7-14-32-16-12-21(13-17-32)29-31-24-9-4-5-11-26(24)36-29;1-17(31)24-16-29(26-23(24)4-2-5-25(26)28)12-3-13-30-19-8-9-20(30)15-22(14-19)32-21-10-6-18(27)7-11-21;1-19-8-5-9-20(2)25(19)28-16-14-27(15-17-28)12-7-13-29-18-23(21(3)30)22-10-6-11-24(31-4)26(22)29;1-17(32)19-16-31(22-18(19)6-3-8-21(22)33-2)11-5-10-29-12-14-30(15-13-29)23-20(24(25,26)27)7-4-9-28-23/h4-6,8-11,19-21H,7,12-18H2,1-3H3,(H,30,34);2,4-7,10-11,16,19-20,22H,3,8-9,12-15H2,1H3;5-6,8-11,18H,7,12-17H2,1-4H3;3-4,6-9,16H,5,10-15H2,1-2H3
InChIKeyXUDDEJARCYTZLF-UHFFFAOYSA-N
XLogP—
TPSA210.00 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds30
Heavy Atoms132
Complexity2590

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001856.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze 1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[7-chloro-1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]indol-3-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[7-chloro-1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]indol-3-yl]ethanone?
The IUPAC name of 1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[7-chloro-1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]indol-3-yl]ethanone (CID 161812389) is 1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[7-chloro-1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]indol-3-yl]ethanone.
What is the SMILES notation for 1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[7-chloro-1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]indol-3-yl]ethanone?
The canonical SMILES for 1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[7-chloro-1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]indol-3-yl]ethanone is CC1=C(C(=CC=C1)C)N2CCN(CC2)CCCN3C=C(C4=C3C(=CC=C4)OC)C(=O)C.CC(C)CNC(=O)C1=CN(C2=C1C=CC=C2OC)CCCN3CCC(CC3)C4=NC5=CC=CC=C5S4.CC(=O)C1=CN(C2=C1C=CC=C2OC)CCCN3CCN(CC3)C4=C(C=CC=N4)C(F)(F)F.CC(=O)C1=CN(C2=C1C=CC=C2Cl)CCCN3C4CCC3CC(C4)OC5=CC=C(C=C5)Cl.
What is the InChIKey of 1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[7-chloro-1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]indol-3-yl]ethanone?
The InChIKey is XUDDEJARCYTZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O2S.C26H28Cl2N2O2.C26H33N3O2.C24H27F3N4O2/c1-20(2)18-30-28(34)23-19-33(27-22(23)8-6-10-25(27)35-3)15-7-14-32-16-12-21(13-17-32)29-31-24-9-4-5-11-26(24)36-29;1-17(31)24-16-29(26-23(24)4-2-5-25(26)28)12-3-13-30-19-8-9-20(30)15-22(14-19)32-21-10-6-18(27)7-11-21;1-19-8-5-9-20(2)25(19)28-16-14-27(15-17-28)12-7-13-29-18-23(21(3)30)22-10-6-11-24(31-4)26(22)29;1-17(32)19-16-31(22-18(19)6-3-8-21(22)33-2)11-5-10-29-12-14-30(15-13-29)23-20(24(25,26)27)7-4-9-28-23/h4-6,8-11,19-21H,7,12-18H2,1-3H3,(H,30,34);2,4-7,10-11,16,19-20,22H,3,8-9,12-15H2,1H3;5-6,8-11,18H,7,12-17H2,1-4H3;3-4,6-9,16H,5,10-15H2,1-2H3.
What are the key properties of 1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[7-chloro-1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]indol-3-yl]ethanone?
1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[7-chloro-1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]indol-3-yl]ethanone has a molecular weight of 1856.20 g/mol, XLogP of not available, 30 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[7-chloro-1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]indol-3-yl]ethanone is sourced from PubChem (CID 161812389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).