6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-1-methylsulfonylpiperidin-4-ol;1-(6-chloro-1H-indol-4-yl)piperidin-3-ol;1-[4-(6-cyclopropyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone

C60H73Cl3FN9O7S2 — CID 159802896

About 6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-1-methylsulfonylpiperidin-4-ol;1-(6-chloro-1H-indol-4-yl)piperidin-3-ol;1-[4-(6-cyclopropyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone

6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-1-methylsulfonylpiperidin-4-ol;1-(6-chloro-1H-indol-4-yl)piperidin-3-ol;1-[4-(6-cyclopropyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone (PubChem CID 159802896) has the molecular formula C60H73Cl3FN9O7S2 and a molecular weight of 1221.79 g/mol. Its IUPAC name is 6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-1-methylsulfonylpiperidin-4-ol;1-(6-chloro-1H-indol-4-yl)piperidin-3-ol;1-[4-(6-cyclopropyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-1-methylsulfonylpiperidin-4-ol;1-(6-chloro-1H-indol-4-yl)piperidin-3-ol;1-[4-(6-cyclopropyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone
• PubChem CID: 159802896
• Molecular Formula: C60H73Cl3FN9O7S2
• Molecular Weight: 1221.79 g/mol
• Exact Mass: 1219.41
• IUPAC Name: 6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-1-methylsulfonylpiperidin-4-ol;1-(6-chloro-1H-indol-4-yl)piperidin-3-ol;1-[4-(6-cyclopropyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone
• SMILES: CC(=O)N1CCN(c2cc(C3CC3)cc3[nH]ccc23)CC1(C)C.CS(=O)(=O)N1CCC(F)(c2cc(Cl)cc3[nH]ccc23)CC1.CS(=O)(=O)N1CCC(O)(c2cc(Cl)cc3[nH]ccc23)CC1.OC1CCCN(c2cc(Cl)cc3[nH]ccc23)C1
• InChI: InChI=1S/C19H25N3O.C14H16ClFN2O2S.C14H17ClN2O3S.C13H15ClN2O/c1-13(23)22-9-8-21(12-19(22,2)3)18-11-15(14-4-5-14)10-17-16(18)6-7-20-17;1-21(19,20)18-6-3-14(16,4-7-18)12-8-10(15)9-13-11(12)2-5-17-13;1-21(19,20)17-6-3-14(18,4-7-17)12-8-10(15)9-13-11(12)2-5-16-13;14-9-6-12-11(3-4-15-12)13(7-9)16-5-1-2-10(17)8-16/h6-7,10-11,14,20H,4-5,8-9,12H2,1-3H3;2,5,8-9,17H,3-4,6-7H2,1H3;2,5,8-9,16,18H,3-4,6-7H2,1H3;3-4,6-7,10,15,17H,1-2,5,8H2
• InChIKey: NKAGBTJPGGDQNP-UHFFFAOYSA-N
• XLogP: 11.38
• TPSA: 205.17 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1221.79
LogP ≤ 5	11.38
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-1-methylsulfonylpiperidin-4-ol;1-(6-chloro-1H-indol-4-yl)piperidin-3-ol;1-[4-(6-cyclopropyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone?

The IUPAC name of 6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-1-methylsulfonylpiperidin-4-ol;1-(6-chloro-1H-indol-4-yl)piperidin-3-ol;1-[4-(6-cyclopropyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone (CID 159802896) is 6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-1-methylsulfonylpiperidin-4-ol;1-(6-chloro-1H-indol-4-yl)piperidin-3-ol;1-[4-(6-cyclopropyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone.

What is the SMILES notation for 6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-1-methylsulfonylpiperidin-4-ol;1-(6-chloro-1H-indol-4-yl)piperidin-3-ol;1-[4-(6-cyclopropyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone?

The canonical SMILES for 6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-1-methylsulfonylpiperidin-4-ol;1-(6-chloro-1H-indol-4-yl)piperidin-3-ol;1-[4-(6-cyclopropyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(C3CC3)cc3[nH]ccc23)CC1(C)C.CS(=O)(=O)N1CCC(F)(c2cc(Cl)cc3[nH]ccc23)CC1.CS(=O)(=O)N1CCC(O)(c2cc(Cl)cc3[nH]ccc23)CC1.OC1CCCN(c2cc(Cl)cc3[nH]ccc23)C1.

What is the InChIKey of 6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-1-methylsulfonylpiperidin-4-ol;1-(6-chloro-1H-indol-4-yl)piperidin-3-ol;1-[4-(6-cyclopropyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone?

The InChIKey is NKAGBTJPGGDQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O.C14H16ClFN2O2S.C14H17ClN2O3S.C13H15ClN2O/c1-13(23)22-9-8-21(12-19(22,2)3)18-11-15(14-4-5-14)10-17-16(18)6-7-20-17;1-21(19,20)18-6-3-14(16,4-7-18)12-8-10(15)9-13-11(12)2-5-17-13;1-21(19,20)17-6-3-14(18,4-7-17)12-8-10(15)9-13-11(12)2-5-16-13;14-9-6-12-11(3-4-15-12)13(7-9)16-5-1-2-10(17)8-16/h6-7,10-11,14,20H,4-5,8-9,12H2,1-3H3;2,5,8-9,17H,3-4,6-7H2,1H3;2,5,8-9,16,18H,3-4,6-7H2,1H3;3-4,6-7,10,15,17H,1-2,5,8H2.

What are the key properties of 6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-1-methylsulfonylpiperidin-4-ol;1-(6-chloro-1H-indol-4-yl)piperidin-3-ol;1-[4-(6-cyclopropyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone?

6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-1-methylsulfonylpiperidin-4-ol;1-(6-chloro-1H-indol-4-yl)piperidin-3-ol;1-[4-(6-cyclopropyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone has a molecular weight of 1221.79 g/mol, XLogP of 11.38, 7 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-1-methylsulfonylpiperidin-4-ol;1-(6-chloro-1H-indol-4-yl)piperidin-3-ol;1-[4-(6-cyclopropyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone is sourced from PubChem (CID 159802896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).