4-[1-(benzenesulfonyl)piperidin-4-yl]-6-chloro-1H-indole;8-(6-chloro-1H-indol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(1-propylsulfonylpiperidin-4-yl)-1H-indole;1-[4-(6-cyclopentyl-1H-indol-4-yl)piperazin-1-yl]ethanone

C69H80Cl3N11O7S2 — CID 161106820

About 4-[1-(benzenesulfonyl)piperidin-4-yl]-6-chloro-1H-indole;8-(6-chloro-1H-indol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(1-propylsulfonylpiperidin-4-yl)-1H-indole;1-[4-(6-cyclopentyl-1H-indol-4-yl)piperazin-1-yl]ethanone

4-[1-(benzenesulfonyl)piperidin-4-yl]-6-chloro-1H-indole;8-(6-chloro-1H-indol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(1-propylsulfonylpiperidin-4-yl)-1H-indole;1-[4-(6-cyclopentyl-1H-indol-4-yl)piperazin-1-yl]ethanone (PubChem CID 161106820) has the molecular formula C69H80Cl3N11O7S2 and a molecular weight of 1345.96 g/mol. Its IUPAC name is 4-[1-(benzenesulfonyl)piperidin-4-yl]-6-chloro-1H-indole;8-(6-chloro-1H-indol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(1-propylsulfonylpiperidin-4-yl)-1H-indole;1-[4-(6-cyclopentyl-1H-indol-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 4-[1-(benzenesulfonyl)piperidin-4-yl]-6-chloro-1H-indole;8-(6-chloro-1H-indol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(1-propylsulfonylpiperidin-4-yl)-1H-indole;1-[4-(6-cyclopentyl-1H-indol-4-yl)piperazin-1-yl]ethanone
• PubChem CID: 161106820
• Molecular Formula: C69H80Cl3N11O7S2
• Molecular Weight: 1345.96 g/mol
• Exact Mass: 1343.47
• IUPAC Name: 4-[1-(benzenesulfonyl)piperidin-4-yl]-6-chloro-1H-indole;8-(6-chloro-1H-indol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(1-propylsulfonylpiperidin-4-yl)-1H-indole;1-[4-(6-cyclopentyl-1H-indol-4-yl)piperazin-1-yl]ethanone
• SMILES: CC(=O)N1CCN(c2cc(C3CCCC3)cc3[nH]ccc23)CC1.CCCS(=O)(=O)N1CCC(c2cc(Cl)cc3[nH]ccc23)CC1.O=C1NC(=O)C2(CCN(c3cc(Cl)cc4[nH]ccc34)CC2)N1.O=S(=O)(c1ccccc1)N1CCC(c2cc(Cl)cc3[nH]ccc23)CC1
• InChI: InChI=1S/C19H19ClN2O2S.C19H25N3O.C16H21ClN2O2S.C15H15ClN4O2/c20-15-12-18(17-6-9-21-19(17)13-15)14-7-10-22(11-8-14)25(23,24)16-4-2-1-3-5-16;1-14(23)21-8-10-22(11-9-21)19-13-16(15-4-2-3-5-15)12-18-17(19)6-7-20-18;1-2-9-22(20,21)19-7-4-12(5-8-19)15-10-13(17)11-16-14(15)3-6-18-16;16-9-7-11-10(1-4-17-11)12(8-9)20-5-2-15(3-6-20)13(21)18-14(22)19-15/h1-6,9,12-14,21H,7-8,10-11H2;6-7,12-13,15,20H,2-5,8-11H2,1H3;3,6,10-12,18H,2,4-5,7-9H2,1H3;1,4,7-8,17H,2-3,5-6H2,(H2,18,19,21,22)
• InChIKey: UJDSIVNWPAQBMC-UHFFFAOYSA-N
• XLogP: 13.62
• TPSA: 222.91 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1345.96
LogP ≤ 5	13.62
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[1-(benzenesulfonyl)piperidin-4-yl]-6-chloro-1H-indole;8-(6-chloro-1H-indol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(1-propylsulfonylpiperidin-4-yl)-1H-indole;1-[4-(6-cyclopentyl-1H-indol-4-yl)piperazin-1-yl]ethanone?

The IUPAC name of 4-[1-(benzenesulfonyl)piperidin-4-yl]-6-chloro-1H-indole;8-(6-chloro-1H-indol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(1-propylsulfonylpiperidin-4-yl)-1H-indole;1-[4-(6-cyclopentyl-1H-indol-4-yl)piperazin-1-yl]ethanone (CID 161106820) is 4-[1-(benzenesulfonyl)piperidin-4-yl]-6-chloro-1H-indole;8-(6-chloro-1H-indol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(1-propylsulfonylpiperidin-4-yl)-1H-indole;1-[4-(6-cyclopentyl-1H-indol-4-yl)piperazin-1-yl]ethanone.

What is the SMILES notation for 4-[1-(benzenesulfonyl)piperidin-4-yl]-6-chloro-1H-indole;8-(6-chloro-1H-indol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(1-propylsulfonylpiperidin-4-yl)-1H-indole;1-[4-(6-cyclopentyl-1H-indol-4-yl)piperazin-1-yl]ethanone?

The canonical SMILES for 4-[1-(benzenesulfonyl)piperidin-4-yl]-6-chloro-1H-indole;8-(6-chloro-1H-indol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(1-propylsulfonylpiperidin-4-yl)-1H-indole;1-[4-(6-cyclopentyl-1H-indol-4-yl)piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(C3CCCC3)cc3[nH]ccc23)CC1.CCCS(=O)(=O)N1CCC(c2cc(Cl)cc3[nH]ccc23)CC1.O=C1NC(=O)C2(CCN(c3cc(Cl)cc4[nH]ccc34)CC2)N1.O=S(=O)(c1ccccc1)N1CCC(c2cc(Cl)cc3[nH]ccc23)CC1.

What is the InChIKey of 4-[1-(benzenesulfonyl)piperidin-4-yl]-6-chloro-1H-indole;8-(6-chloro-1H-indol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(1-propylsulfonylpiperidin-4-yl)-1H-indole;1-[4-(6-cyclopentyl-1H-indol-4-yl)piperazin-1-yl]ethanone?

The InChIKey is UJDSIVNWPAQBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2S.C19H25N3O.C16H21ClN2O2S.C15H15ClN4O2/c20-15-12-18(17-6-9-21-19(17)13-15)14-7-10-22(11-8-14)25(23,24)16-4-2-1-3-5-16;1-14(23)21-8-10-22(11-9-21)19-13-16(15-4-2-3-5-15)12-18-17(19)6-7-20-18;1-2-9-22(20,21)19-7-4-12(5-8-19)15-10-13(17)11-16-14(15)3-6-18-16;16-9-7-11-10(1-4-17-11)12(8-9)20-5-2-15(3-6-20)13(21)18-14(22)19-15/h1-6,9,12-14,21H,7-8,10-11H2;6-7,12-13,15,20H,2-5,8-11H2,1H3;3,6,10-12,18H,2,4-5,7-9H2,1H3;1,4,7-8,17H,2-3,5-6H2,(H2,18,19,21,22).

What are the key properties of 4-[1-(benzenesulfonyl)piperidin-4-yl]-6-chloro-1H-indole;8-(6-chloro-1H-indol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(1-propylsulfonylpiperidin-4-yl)-1H-indole;1-[4-(6-cyclopentyl-1H-indol-4-yl)piperazin-1-yl]ethanone?

4-[1-(benzenesulfonyl)piperidin-4-yl]-6-chloro-1H-indole;8-(6-chloro-1H-indol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(1-propylsulfonylpiperidin-4-yl)-1H-indole;1-[4-(6-cyclopentyl-1H-indol-4-yl)piperazin-1-yl]ethanone has a molecular weight of 1345.96 g/mol, XLogP of 13.62, 10 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(benzenesulfonyl)piperidin-4-yl]-6-chloro-1H-indole;8-(6-chloro-1H-indol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(1-propylsulfonylpiperidin-4-yl)-1H-indole;1-[4-(6-cyclopentyl-1H-indol-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 161106820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).