1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-bromoindol-3-yl]ethanone;1-[6-bromo-1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[6-bromo-1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[5-bromo-1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[6-bromo-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;2,2,2-trifluoro-1-[1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone

C146H162Br5Cl2F4N13O11 — CID 158357984

About 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-bromoindol-3-yl]ethanone;1-[6-bromo-1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[6-bromo-1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[5-bromo-1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[6-bromo-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;2,2,2-trifluoro-1-[1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone

1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-bromoindol-3-yl]ethanone;1-[6-bromo-1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[6-bromo-1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[5-bromo-1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[6-bromo-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;2,2,2-trifluoro-1-[1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone (PubChem CID 158357984) has the molecular formula C146H162Br5Cl2F4N13O11 and a molecular weight of 2821.40 g/mol. Its IUPAC name is 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-bromoindol-3-yl]ethanone;1-[6-bromo-1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[6-bromo-1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[5-bromo-1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[6-bromo-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;2,2,2-trifluoro-1-[1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-bromoindol-3-yl]ethanone;1-[6-bromo-1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[6-bromo-1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[5-bromo-1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[6-bromo-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;2,2,2-trifluoro-1-[1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone
• PubChem CID: 158357984
• Molecular Formula: C146H162Br5Cl2F4N13O11
• Molecular Weight: 2821.40 g/mol
• Exact Mass: 2813.77
• IUPAC Name: 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-bromoindol-3-yl]ethanone;1-[6-bromo-1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[6-bromo-1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[5-bromo-1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[6-bromo-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;2,2,2-trifluoro-1-[1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone
• SMILES: CC(=O)c1cn(CCCN2C3CCC2CC(Oc2ccc(Cl)cc2)C3)c2cc(Br)ccc12.CC(=O)c1cn(CCCN2CCC(C(=O)c3ccccc3)CC2)c2ccc(Br)cc12.CC(=O)c1cn(CCCN2CCC(Oc3ccc(F)cc3)CC2)c2cc(Br)ccc12.CC(=O)c1cn(CCCN2CCC(Oc3ccccc3Cl)CC2)c2ccc(Br)cc12.CCCCC1CCN(CCCn2cc(C(C)=O)c3ccc(Br)cc32)CC1.COc1ccc2[nH]c3c(c2c1)CCN(CCCn1cc(C(=O)C(F)(F)F)c2ccccc21)C3
• InChI: InChI=1S/C26H28BrClN2O2.C25H27BrN2O2.C25H24F3N3O2.C24H26BrClN2O2.C24H26BrFN2O2.C22H31BrN2O/c1-17(31)25-16-29(26-13-18(27)3-10-24(25)26)11-2-12-30-20-6-7-21(30)15-23(14-20)32-22-8-4-19(28)5-9-22;1-18(29)23-17-28(24-9-8-21(26)16-22(23)24)13-5-12-27-14-10-20(11-15-27)25(30)19-6-3-2-4-7-19;1-33-16-7-8-21-19(13-16)17-9-12-30(15-22(17)29-21)10-4-11-31-14-20(24(32)25(26,27)28)18-5-2-3-6-23(18)31;1-17(29)21-16-28(23-8-7-18(25)15-20(21)23)12-4-11-27-13-9-19(10-14-27)30-24-6-3-2-5-22(24)26;1-17(29)23-16-28(24-15-18(25)3-8-22(23)24)12-2-11-27-13-9-21(10-14-27)30-20-6-4-19(26)5-7-20;1-3-4-6-18-9-13-24(14-10-18)11-5-12-25-16-21(17(2)26)20-8-7-19(23)15-22(20)25/h3-5,8-10,13,16,20-21,23H,2,6-7,11-12,14-15H2,1H3;2-4,6-9,16-17,20H,5,10-15H2,1H3;2-3,5-8,13-14,29H,4,9-12,15H2,1H3;2-3,5-8,15-16,19H,4,9-14H2,1H3;3-8,15-16,21H,2,9-14H2,1H3;7-8,15-16,18H,3-6,9-14H2,1-2H3
• InChIKey: GTCPYMBRSAYAOE-UHFFFAOYSA-N
• XLogP: 35.41
• TPSA: 221.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 42
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2821.40
LogP ≤ 5	35.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-bromoindol-3-yl]ethanone;1-[6-bromo-1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[6-bromo-1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[5-bromo-1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[6-bromo-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;2,2,2-trifluoro-1-[1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone?

The IUPAC name of 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-bromoindol-3-yl]ethanone;1-[6-bromo-1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[6-bromo-1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[5-bromo-1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[6-bromo-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;2,2,2-trifluoro-1-[1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone (CID 158357984) is 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-bromoindol-3-yl]ethanone;1-[6-bromo-1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[6-bromo-1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[5-bromo-1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[6-bromo-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;2,2,2-trifluoro-1-[1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone.

What is the SMILES notation for 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-bromoindol-3-yl]ethanone;1-[6-bromo-1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[6-bromo-1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[5-bromo-1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[6-bromo-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;2,2,2-trifluoro-1-[1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone?

The canonical SMILES for 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-bromoindol-3-yl]ethanone;1-[6-bromo-1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[6-bromo-1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[5-bromo-1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[6-bromo-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;2,2,2-trifluoro-1-[1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone is CC(=O)c1cn(CCCN2C3CCC2CC(Oc2ccc(Cl)cc2)C3)c2cc(Br)ccc12.CC(=O)c1cn(CCCN2CCC(C(=O)c3ccccc3)CC2)c2ccc(Br)cc12.CC(=O)c1cn(CCCN2CCC(Oc3ccc(F)cc3)CC2)c2cc(Br)ccc12.CC(=O)c1cn(CCCN2CCC(Oc3ccccc3Cl)CC2)c2ccc(Br)cc12.CCCCC1CCN(CCCn2cc(C(C)=O)c3ccc(Br)cc32)CC1.COc1ccc2[nH]c3c(c2c1)CCN(CCCn1cc(C(=O)C(F)(F)F)c2ccccc21)C3.

What is the InChIKey of 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-bromoindol-3-yl]ethanone;1-[6-bromo-1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[6-bromo-1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[5-bromo-1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[6-bromo-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;2,2,2-trifluoro-1-[1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone?

The InChIKey is GTCPYMBRSAYAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28BrClN2O2.C25H27BrN2O2.C25H24F3N3O2.C24H26BrClN2O2.C24H26BrFN2O2.C22H31BrN2O/c1-17(31)25-16-29(26-13-18(27)3-10-24(25)26)11-2-12-30-20-6-7-21(30)15-23(14-20)32-22-8-4-19(28)5-9-22;1-18(29)23-17-28(24-9-8-21(26)16-22(23)24)13-5-12-27-14-10-20(11-15-27)25(30)19-6-3-2-4-7-19;1-33-16-7-8-21-19(13-16)17-9-12-30(15-22(17)29-21)10-4-11-31-14-20(24(32)25(26,27)28)18-5-2-3-6-23(18)31;1-17(29)21-16-28(23-8-7-18(25)15-20(21)23)12-4-11-27-13-9-19(10-14-27)30-24-6-3-2-5-22(24)26;1-17(29)23-16-28(24-15-18(25)3-8-22(23)24)12-2-11-27-13-9-21(10-14-27)30-20-6-4-19(26)5-7-20;1-3-4-6-18-9-13-24(14-10-18)11-5-12-25-16-21(17(2)26)20-8-7-19(23)15-22(20)25/h3-5,8-10,13,16,20-21,23H,2,6-7,11-12,14-15H2,1H3;2-4,6-9,16-17,20H,5,10-15H2,1H3;2-3,5-8,13-14,29H,4,9-12,15H2,1H3;2-3,5-8,15-16,19H,4,9-14H2,1H3;3-8,15-16,21H,2,9-14H2,1H3;7-8,15-16,18H,3-6,9-14H2,1-2H3.

What are the key properties of 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-bromoindol-3-yl]ethanone;1-[6-bromo-1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[6-bromo-1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[5-bromo-1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[6-bromo-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;2,2,2-trifluoro-1-[1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone?

1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-bromoindol-3-yl]ethanone;1-[6-bromo-1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[6-bromo-1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[5-bromo-1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[6-bromo-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;2,2,2-trifluoro-1-[1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone has a molecular weight of 2821.40 g/mol, XLogP of 35.41, 42 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-bromoindol-3-yl]ethanone;1-[6-bromo-1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[6-bromo-1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[5-bromo-1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[6-bromo-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;2,2,2-trifluoro-1-[1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone is sourced from PubChem (CID 158357984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).