1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-bromoindol-3-yl]ethanone;1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-chloroindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-chloroindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone

C124H134Br2Cl2FN13O8S2 — CID 159305150

About 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-bromoindol-3-yl]ethanone;1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-chloroindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-chloroindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone

1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-bromoindol-3-yl]ethanone;1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-chloroindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-chloroindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone (PubChem CID 159305150) has the molecular formula C124H134Br2Cl2FN13O8S2 and a molecular weight of 2248.36 g/mol. Its IUPAC name is 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-bromoindol-3-yl]ethanone;1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-chloroindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-chloroindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-bromoindol-3-yl]ethanone;1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-chloroindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-chloroindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone
• PubChem CID: 159305150
• Molecular Formula: C124H134Br2Cl2FN13O8S2
• Molecular Weight: 2248.36 g/mol
• Exact Mass: 2243.76
• IUPAC Name: 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-bromoindol-3-yl]ethanone;1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-chloroindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-chloroindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone
• SMILES: CC(=O)c1cn(CCCN2CCC(C(=O)c3ccccc3)CC2)c2c(Br)cccc12.CC(=O)c1cn(CCCN2CCC(C(=O)c3ccccc3)CC2)c2c(Cl)cccc12.CC(=O)c1cn(CCCN2CCC(c3nc4ccccc4s3)CC2)c2c(Br)cccc12.CC(=O)c1cn(CCCN2CCC(c3nc4ccccc4s3)CC2)c2c(Cl)cccc12.COc1cccc2c(C(C)=O)cn(CCCN3CCN(c4ccc(F)cc4)CC3)c12
• InChI: InChI=1S/C25H26BrN3OS.C25H27BrN2O2.C25H26ClN3OS.C25H27ClN2O2.C24H28FN3O2/c1-17(30)20-16-29(24-19(20)6-4-7-21(24)26)13-5-12-28-14-10-18(11-15-28)25-27-22-8-2-3-9-23(22)31-25;1-18(29)22-17-28(24-21(22)9-5-10-23(24)26)14-6-13-27-15-11-20(12-16-27)25(30)19-7-3-2-4-8-19;1-17(30)20-16-29(24-19(20)6-4-7-21(24)26)13-5-12-28-14-10-18(11-15-28)25-27-22-8-2-3-9-23(22)31-25;1-18(29)22-17-28(24-21(22)9-5-10-23(24)26)14-6-13-27-15-11-20(12-16-27)25(30)19-7-3-2-4-8-19;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/h2-4,6-9,16,18H,5,10-15H2,1H3;2-5,7-10,17,20H,6,11-16H2,1H3;2-4,6-9,16,18H,5,10-15H2,1H3;2-5,7-10,17,20H,6,11-16H2,1H3;3,5-10,17H,4,11-16H2,1-2H3
• InChIKey: LBVCRMHRKPMBIJ-UHFFFAOYSA-N
• XLogP: 28.14
• TPSA: 198.59 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 33
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2248.36
LogP ≤ 5	28.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-bromoindol-3-yl]ethanone;1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-chloroindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-chloroindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone?

The IUPAC name of 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-bromoindol-3-yl]ethanone;1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-chloroindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-chloroindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone (CID 159305150) is 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-bromoindol-3-yl]ethanone;1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-chloroindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-chloroindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone.

What is the SMILES notation for 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-bromoindol-3-yl]ethanone;1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-chloroindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-chloroindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone?

The canonical SMILES for 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-bromoindol-3-yl]ethanone;1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-chloroindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-chloroindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone is CC(=O)c1cn(CCCN2CCC(C(=O)c3ccccc3)CC2)c2c(Br)cccc12.CC(=O)c1cn(CCCN2CCC(C(=O)c3ccccc3)CC2)c2c(Cl)cccc12.CC(=O)c1cn(CCCN2CCC(c3nc4ccccc4s3)CC2)c2c(Br)cccc12.CC(=O)c1cn(CCCN2CCC(c3nc4ccccc4s3)CC2)c2c(Cl)cccc12.COc1cccc2c(C(C)=O)cn(CCCN3CCN(c4ccc(F)cc4)CC3)c12.

What is the InChIKey of 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-bromoindol-3-yl]ethanone;1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-chloroindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-chloroindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone?

The InChIKey is LBVCRMHRKPMBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26BrN3OS.C25H27BrN2O2.C25H26ClN3OS.C25H27ClN2O2.C24H28FN3O2/c1-17(30)20-16-29(24-19(20)6-4-7-21(24)26)13-5-12-28-14-10-18(11-15-28)25-27-22-8-2-3-9-23(22)31-25;1-18(29)22-17-28(24-21(22)9-5-10-23(24)26)14-6-13-27-15-11-20(12-16-27)25(30)19-7-3-2-4-8-19;1-17(30)20-16-29(24-19(20)6-4-7-21(24)26)13-5-12-28-14-10-18(11-15-28)25-27-22-8-2-3-9-23(22)31-25;1-18(29)22-17-28(24-21(22)9-5-10-23(24)26)14-6-13-27-15-11-20(12-16-27)25(30)19-7-3-2-4-8-19;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/h2-4,6-9,16,18H,5,10-15H2,1H3;2-5,7-10,17,20H,6,11-16H2,1H3;2-4,6-9,16,18H,5,10-15H2,1H3;2-5,7-10,17,20H,6,11-16H2,1H3;3,5-10,17H,4,11-16H2,1-2H3.

What are the key properties of 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-bromoindol-3-yl]ethanone;1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-chloroindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-chloroindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone?

1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-bromoindol-3-yl]ethanone;1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-chloroindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-chloroindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone has a molecular weight of 2248.36 g/mol, XLogP of 28.14, 33 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-bromoindol-3-yl]ethanone;1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-chloroindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-chloroindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone is sourced from PubChem (CID 159305150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).