4-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]butan-2-one;1-[1-[3-(4-benzylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[6-bromo-1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;ethyl 1-[3-[3-(2,2,2-trifluoroacetyl)indol-1-yl]propyl]piperidine-4-carboxylate;1-[1-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]indol-3-yl]ethanone

C121H138BrClF6N10O10 — CID 161270438

About 4-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]butan-2-one;1-[1-[3-(4-benzylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[6-bromo-1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;ethyl 1-[3-[3-(2,2,2-trifluoroacetyl)indol-1-yl]propyl]piperidine-4-carboxylate;1-[1-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]indol-3-yl]ethanone

4-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]butan-2-one;1-[1-[3-(4-benzylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[6-bromo-1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;ethyl 1-[3-[3-(2,2,2-trifluoroacetyl)indol-1-yl]propyl]piperidine-4-carboxylate;1-[1-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]indol-3-yl]ethanone (PubChem CID 161270438) has the molecular formula C121H138BrClF6N10O10 and a molecular weight of 2121.84 g/mol. Its IUPAC name is 4-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]butan-2-one;1-[1-[3-(4-benzylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[6-bromo-1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;ethyl 1-[3-[3-(2,2,2-trifluoroacetyl)indol-1-yl]propyl]piperidine-4-carboxylate;1-[1-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]indol-3-yl]ethanone.

Molecular Properties

• Compound Name: 4-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]butan-2-one;1-[1-[3-(4-benzylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[6-bromo-1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;ethyl 1-[3-[3-(2,2,2-trifluoroacetyl)indol-1-yl]propyl]piperidine-4-carboxylate;1-[1-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]indol-3-yl]ethanone
• PubChem CID: 161270438
• Molecular Formula: C121H138BrClF6N10O10
• Molecular Weight: 2121.84 g/mol
• Exact Mass: 2118.94
• IUPAC Name: 4-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]butan-2-one;1-[1-[3-(4-benzylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[6-bromo-1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;ethyl 1-[3-[3-(2,2,2-trifluoroacetyl)indol-1-yl]propyl]piperidine-4-carboxylate;1-[1-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]indol-3-yl]ethanone
• SMILES: CC(=O)CCc1cn(CCCN2CCC(C(=O)c3ccccc3)CC2)c2ccccc12.CC(=O)c1cn(CCCN2CCC(Oc3ccccc3Cl)CC2)c2cc(Br)ccc12.CCOC(=O)C1CCN(CCCn2cc(C(=O)C(F)(F)F)c3ccccc32)CC1.COc1ccccc1C1CCN(CCn2cc(C(C)=O)c3ccccc32)CC1.O=C(c1cn(CCCN2CCC(Cc3ccccc3)CC2)c2ccccc12)C(F)(F)F
• InChI: InChI=1S/C27H32N2O2.C25H27F3N2O.C24H26BrClN2O2.C24H28N2O2.C21H25F3N2O3/c1-21(30)12-13-24-20-29(26-11-6-5-10-25(24)26)17-7-16-28-18-14-23(15-19-28)27(31)22-8-3-2-4-9-22;26-25(27,28)24(31)22-18-30(23-10-5-4-9-21(22)23)14-6-13-29-15-11-20(12-16-29)17-19-7-2-1-3-8-19;1-17(29)21-16-28(23-15-18(25)7-8-20(21)23)12-4-11-27-13-9-19(10-14-27)30-24-6-3-2-5-22(24)26;1-18(27)22-17-26(23-9-5-3-8-21(22)23)16-15-25-13-11-19(12-14-25)20-7-4-6-10-24(20)28-2;1-2-29-20(28)15-8-12-25(13-9-15)10-5-11-26-14-17(19(27)21(22,23)24)16-6-3-4-7-18(16)26/h2-6,8-11,20,23H,7,12-19H2,1H3;1-5,7-10,18,20H,6,11-17H2;2-3,5-8,15-16,19H,4,9-14H2,1H3;3-10,17,19H,11-16H2,1-2H3;3-4,6-7,14-15H,2,5,8-13H2,1H3
• InChIKey: VDSXDXMWOYUAKG-UHFFFAOYSA-N
• XLogP: 25.86
• TPSA: 188.03 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 36
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2121.84
LogP ≤ 5	25.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]butan-2-one;1-[1-[3-(4-benzylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[6-bromo-1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;ethyl 1-[3-[3-(2,2,2-trifluoroacetyl)indol-1-yl]propyl]piperidine-4-carboxylate;1-[1-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]indol-3-yl]ethanone?

The IUPAC name of 4-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]butan-2-one;1-[1-[3-(4-benzylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[6-bromo-1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;ethyl 1-[3-[3-(2,2,2-trifluoroacetyl)indol-1-yl]propyl]piperidine-4-carboxylate;1-[1-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]indol-3-yl]ethanone (CID 161270438) is 4-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]butan-2-one;1-[1-[3-(4-benzylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[6-bromo-1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;ethyl 1-[3-[3-(2,2,2-trifluoroacetyl)indol-1-yl]propyl]piperidine-4-carboxylate;1-[1-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]indol-3-yl]ethanone.

What is the SMILES notation for 4-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]butan-2-one;1-[1-[3-(4-benzylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[6-bromo-1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;ethyl 1-[3-[3-(2,2,2-trifluoroacetyl)indol-1-yl]propyl]piperidine-4-carboxylate;1-[1-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]indol-3-yl]ethanone?

The canonical SMILES for 4-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]butan-2-one;1-[1-[3-(4-benzylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[6-bromo-1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;ethyl 1-[3-[3-(2,2,2-trifluoroacetyl)indol-1-yl]propyl]piperidine-4-carboxylate;1-[1-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]indol-3-yl]ethanone is CC(=O)CCc1cn(CCCN2CCC(C(=O)c3ccccc3)CC2)c2ccccc12.CC(=O)c1cn(CCCN2CCC(Oc3ccccc3Cl)CC2)c2cc(Br)ccc12.CCOC(=O)C1CCN(CCCn2cc(C(=O)C(F)(F)F)c3ccccc32)CC1.COc1ccccc1C1CCN(CCn2cc(C(C)=O)c3ccccc32)CC1.O=C(c1cn(CCCN2CCC(Cc3ccccc3)CC2)c2ccccc12)C(F)(F)F.

What is the InChIKey of 4-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]butan-2-one;1-[1-[3-(4-benzylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[6-bromo-1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;ethyl 1-[3-[3-(2,2,2-trifluoroacetyl)indol-1-yl]propyl]piperidine-4-carboxylate;1-[1-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]indol-3-yl]ethanone?

The InChIKey is VDSXDXMWOYUAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O2.C25H27F3N2O.C24H26BrClN2O2.C24H28N2O2.C21H25F3N2O3/c1-21(30)12-13-24-20-29(26-11-6-5-10-25(24)26)17-7-16-28-18-14-23(15-19-28)27(31)22-8-3-2-4-9-22;26-25(27,28)24(31)22-18-30(23-10-5-4-9-21(22)23)14-6-13-29-15-11-20(12-16-29)17-19-7-2-1-3-8-19;1-17(29)21-16-28(23-15-18(25)7-8-20(21)23)12-4-11-27-13-9-19(10-14-27)30-24-6-3-2-5-22(24)26;1-18(27)22-17-26(23-9-5-3-8-21(22)23)16-15-25-13-11-19(12-14-25)20-7-4-6-10-24(20)28-2;1-2-29-20(28)15-8-12-25(13-9-15)10-5-11-26-14-17(19(27)21(22,23)24)16-6-3-4-7-18(16)26/h2-6,8-11,20,23H,7,12-19H2,1H3;1-5,7-10,18,20H,6,11-17H2;2-3,5-8,15-16,19H,4,9-14H2,1H3;3-10,17,19H,11-16H2,1-2H3;3-4,6-7,14-15H,2,5,8-13H2,1H3.

What are the key properties of 4-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]butan-2-one;1-[1-[3-(4-benzylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[6-bromo-1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;ethyl 1-[3-[3-(2,2,2-trifluoroacetyl)indol-1-yl]propyl]piperidine-4-carboxylate;1-[1-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]indol-3-yl]ethanone?

4-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]butan-2-one;1-[1-[3-(4-benzylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[6-bromo-1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;ethyl 1-[3-[3-(2,2,2-trifluoroacetyl)indol-1-yl]propyl]piperidine-4-carboxylate;1-[1-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]indol-3-yl]ethanone has a molecular weight of 2121.84 g/mol, XLogP of 25.86, 36 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]butan-2-one;1-[1-[3-(4-benzylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[6-bromo-1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;ethyl 1-[3-[3-(2,2,2-trifluoroacetyl)indol-1-yl]propyl]piperidine-4-carboxylate;1-[1-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]indol-3-yl]ethanone is sourced from PubChem (CID 161270438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).