3-[1-(benzenesulfonyl)piperidin-4-yl]-6-fluoro-1H-indole;6-fluoro-3-(1-phenylpiperidin-4-yl)-1H-indole;6-fluoro-3-(1-pyridin-4-ylpiperidin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-2,2-dimethylpiperazin-1-yl]ethanone;3-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indole

C86H96F3N13O5S2 — CID 159284993

About 3-[1-(benzenesulfonyl)piperidin-4-yl]-6-fluoro-1H-indole;6-fluoro-3-(1-phenylpiperidin-4-yl)-1H-indole;6-fluoro-3-(1-pyridin-4-ylpiperidin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-2,2-dimethylpiperazin-1-yl]ethanone;3-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indole

3-[1-(benzenesulfonyl)piperidin-4-yl]-6-fluoro-1H-indole;6-fluoro-3-(1-phenylpiperidin-4-yl)-1H-indole;6-fluoro-3-(1-pyridin-4-ylpiperidin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-2,2-dimethylpiperazin-1-yl]ethanone;3-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indole (PubChem CID 159284993) has the molecular formula C86H96F3N13O5S2 and a molecular weight of 1512.93 g/mol. Its IUPAC name is 3-[1-(benzenesulfonyl)piperidin-4-yl]-6-fluoro-1H-indole;6-fluoro-3-(1-phenylpiperidin-4-yl)-1H-indole;6-fluoro-3-(1-pyridin-4-ylpiperidin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-2,2-dimethylpiperazin-1-yl]ethanone;3-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indole.

Molecular Properties

• Compound Name: 3-[1-(benzenesulfonyl)piperidin-4-yl]-6-fluoro-1H-indole;6-fluoro-3-(1-phenylpiperidin-4-yl)-1H-indole;6-fluoro-3-(1-pyridin-4-ylpiperidin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-2,2-dimethylpiperazin-1-yl]ethanone;3-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indole
• PubChem CID: 159284993
• Molecular Formula: C86H96F3N13O5S2
• Molecular Weight: 1512.93 g/mol
• Exact Mass: 1511.71
• IUPAC Name: 3-[1-(benzenesulfonyl)piperidin-4-yl]-6-fluoro-1H-indole;6-fluoro-3-(1-phenylpiperidin-4-yl)-1H-indole;6-fluoro-3-(1-pyridin-4-ylpiperidin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-2,2-dimethylpiperazin-1-yl]ethanone;3-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indole
• SMILES: CC(=O)N1CCN(c2c[nH]c3ccccc23)CC1(C)C.CS(=O)(=O)N1CCCN(c2c[nH]c3ccccc23)CC1.Fc1ccc2c(C3CCN(c4ccccc4)CC3)c[nH]c2c1.Fc1ccc2c(C3CCN(c4ccncc4)CC3)c[nH]c2c1.O=S(=O)(c1ccccc1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1
• InChI: InChI=1S/C19H19FN2O2S.C19H19FN2.C18H18FN3.C16H21N3O.C14H19N3O2S/c20-15-6-7-17-18(13-21-19(17)12-15)14-8-10-22(11-9-14)25(23,24)16-4-2-1-3-5-16;20-15-6-7-17-18(13-21-19(17)12-15)14-8-10-22(11-9-14)16-4-2-1-3-5-16;19-14-1-2-16-17(12-21-18(16)11-14)13-5-9-22(10-6-13)15-3-7-20-8-4-15;1-12(20)19-9-8-18(11-16(19,2)3)15-10-17-14-7-5-4-6-13(14)15;1-20(18,19)17-8-4-7-16(9-10-17)14-11-15-13-6-3-2-5-12(13)14/h1-7,12-14,21H,8-11H2;1-7,12-14,21H,8-11H2;1-4,7-8,11-13,21H,5-6,9-10H2;4-7,10,17H,8-9,11H2,1-3H3;2-3,5-6,11,15H,4,7-10H2,1H3
• InChIKey: KZKAAXLOJHYBDL-UHFFFAOYSA-N
• XLogP: 16.91
• TPSA: 199.87 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1512.93
LogP ≤ 5	16.91
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[1-(benzenesulfonyl)piperidin-4-yl]-6-fluoro-1H-indole;6-fluoro-3-(1-phenylpiperidin-4-yl)-1H-indole;6-fluoro-3-(1-pyridin-4-ylpiperidin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-2,2-dimethylpiperazin-1-yl]ethanone;3-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indole?

The IUPAC name of 3-[1-(benzenesulfonyl)piperidin-4-yl]-6-fluoro-1H-indole;6-fluoro-3-(1-phenylpiperidin-4-yl)-1H-indole;6-fluoro-3-(1-pyridin-4-ylpiperidin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-2,2-dimethylpiperazin-1-yl]ethanone;3-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indole (CID 159284993) is 3-[1-(benzenesulfonyl)piperidin-4-yl]-6-fluoro-1H-indole;6-fluoro-3-(1-phenylpiperidin-4-yl)-1H-indole;6-fluoro-3-(1-pyridin-4-ylpiperidin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-2,2-dimethylpiperazin-1-yl]ethanone;3-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indole.

What is the SMILES notation for 3-[1-(benzenesulfonyl)piperidin-4-yl]-6-fluoro-1H-indole;6-fluoro-3-(1-phenylpiperidin-4-yl)-1H-indole;6-fluoro-3-(1-pyridin-4-ylpiperidin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-2,2-dimethylpiperazin-1-yl]ethanone;3-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indole?

The canonical SMILES for 3-[1-(benzenesulfonyl)piperidin-4-yl]-6-fluoro-1H-indole;6-fluoro-3-(1-phenylpiperidin-4-yl)-1H-indole;6-fluoro-3-(1-pyridin-4-ylpiperidin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-2,2-dimethylpiperazin-1-yl]ethanone;3-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indole is CC(=O)N1CCN(c2c[nH]c3ccccc23)CC1(C)C.CS(=O)(=O)N1CCCN(c2c[nH]c3ccccc23)CC1.Fc1ccc2c(C3CCN(c4ccccc4)CC3)c[nH]c2c1.Fc1ccc2c(C3CCN(c4ccncc4)CC3)c[nH]c2c1.O=S(=O)(c1ccccc1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.

What is the InChIKey of 3-[1-(benzenesulfonyl)piperidin-4-yl]-6-fluoro-1H-indole;6-fluoro-3-(1-phenylpiperidin-4-yl)-1H-indole;6-fluoro-3-(1-pyridin-4-ylpiperidin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-2,2-dimethylpiperazin-1-yl]ethanone;3-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indole?

The InChIKey is KZKAAXLOJHYBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2S.C19H19FN2.C18H18FN3.C16H21N3O.C14H19N3O2S/c20-15-6-7-17-18(13-21-19(17)12-15)14-8-10-22(11-9-14)25(23,24)16-4-2-1-3-5-16;20-15-6-7-17-18(13-21-19(17)12-15)14-8-10-22(11-9-14)16-4-2-1-3-5-16;19-14-1-2-16-17(12-21-18(16)11-14)13-5-9-22(10-6-13)15-3-7-20-8-4-15;1-12(20)19-9-8-18(11-16(19,2)3)15-10-17-14-7-5-4-6-13(14)15;1-20(18,19)17-8-4-7-16(9-10-17)14-11-15-13-6-3-2-5-12(13)14/h1-7,12-14,21H,8-11H2;1-7,12-14,21H,8-11H2;1-4,7-8,11-13,21H,5-6,9-10H2;4-7,10,17H,8-9,11H2,1-3H3;2-3,5-6,11,15H,4,7-10H2,1H3.

What are the key properties of 3-[1-(benzenesulfonyl)piperidin-4-yl]-6-fluoro-1H-indole;6-fluoro-3-(1-phenylpiperidin-4-yl)-1H-indole;6-fluoro-3-(1-pyridin-4-ylpiperidin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-2,2-dimethylpiperazin-1-yl]ethanone;3-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indole?

3-[1-(benzenesulfonyl)piperidin-4-yl]-6-fluoro-1H-indole;6-fluoro-3-(1-phenylpiperidin-4-yl)-1H-indole;6-fluoro-3-(1-pyridin-4-ylpiperidin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-2,2-dimethylpiperazin-1-yl]ethanone;3-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indole has a molecular weight of 1512.93 g/mol, XLogP of 16.91, 10 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(benzenesulfonyl)piperidin-4-yl]-6-fluoro-1H-indole;6-fluoro-3-(1-phenylpiperidin-4-yl)-1H-indole;6-fluoro-3-(1-pyridin-4-ylpiperidin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-2,2-dimethylpiperazin-1-yl]ethanone;3-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indole is sourced from PubChem (CID 159284993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).