6-chloro-4-(1-cyclopentylsulfonylpiperidin-4-yl)-1H-indole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;6-chloro-4-(1-propylsulfonylpiperidin-4-yl)-1H-indole;1-[4-(6-cyclopentyl-1H-indol-4-yl)piperazin-1-yl]ethanone

C69H90Cl3N9O7S3 — CID 158501900

About 6-chloro-4-(1-cyclopentylsulfonylpiperidin-4-yl)-1H-indole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;6-chloro-4-(1-propylsulfonylpiperidin-4-yl)-1H-indole;1-[4-(6-cyclopentyl-1H-indol-4-yl)piperazin-1-yl]ethanone

6-chloro-4-(1-cyclopentylsulfonylpiperidin-4-yl)-1H-indole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;6-chloro-4-(1-propylsulfonylpiperidin-4-yl)-1H-indole;1-[4-(6-cyclopentyl-1H-indol-4-yl)piperazin-1-yl]ethanone (PubChem CID 158501900) has the molecular formula C69H90Cl3N9O7S3 and a molecular weight of 1360.09 g/mol. Its IUPAC name is 6-chloro-4-(1-cyclopentylsulfonylpiperidin-4-yl)-1H-indole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;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: 6-chloro-4-(1-cyclopentylsulfonylpiperidin-4-yl)-1H-indole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;6-chloro-4-(1-propylsulfonylpiperidin-4-yl)-1H-indole;1-[4-(6-cyclopentyl-1H-indol-4-yl)piperazin-1-yl]ethanone
• PubChem CID: 158501900
• Molecular Formula: C69H90Cl3N9O7S3
• Molecular Weight: 1360.09 g/mol
• Exact Mass: 1357.52
• IUPAC Name: 6-chloro-4-(1-cyclopentylsulfonylpiperidin-4-yl)-1H-indole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;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.CC(C)S(=O)(=O)N1CCC(c2cc(Cl)cc3[nH]ccc23)CC1.CCCS(=O)(=O)N1CCC(c2cc(Cl)cc3[nH]ccc23)CC1.O=S(=O)(C1CCCC1)N1CCC(c2cc(Cl)cc3[nH]ccc23)CC1
• InChI: InChI=1S/C19H25N3O.C18H23ClN2O2S.2C16H21ClN2O2S/c1-14(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;19-14-11-17(16-5-8-20-18(16)12-14)13-6-9-21(10-7-13)24(22,23)15-3-1-2-4-15;1-11(2)22(20,21)19-7-4-12(5-8-19)15-9-13(17)10-16-14(15)3-6-18-16;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/h6-7,12-13,15,20H,2-5,8-11H2,1H3;5,8,11-13,15,20H,1-4,6-7,9-10H2;3,6,9-12,18H,4-5,7-8H2,1-2H3;3,6,10-12,18H,2,4-5,7-9H2,1H3
• InChIKey: HJZMXGUCHDVWIF-UHFFFAOYSA-N
• XLogP: 15.25
• TPSA: 198.85 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1360.09
LogP ≤ 5	15.25
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(1-cyclopentylsulfonylpiperidin-4-yl)-1H-indole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;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 6-chloro-4-(1-cyclopentylsulfonylpiperidin-4-yl)-1H-indole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;6-chloro-4-(1-propylsulfonylpiperidin-4-yl)-1H-indole;1-[4-(6-cyclopentyl-1H-indol-4-yl)piperazin-1-yl]ethanone (CID 158501900) is 6-chloro-4-(1-cyclopentylsulfonylpiperidin-4-yl)-1H-indole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;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 6-chloro-4-(1-cyclopentylsulfonylpiperidin-4-yl)-1H-indole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;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 6-chloro-4-(1-cyclopentylsulfonylpiperidin-4-yl)-1H-indole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;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.CC(C)S(=O)(=O)N1CCC(c2cc(Cl)cc3[nH]ccc23)CC1.CCCS(=O)(=O)N1CCC(c2cc(Cl)cc3[nH]ccc23)CC1.O=S(=O)(C1CCCC1)N1CCC(c2cc(Cl)cc3[nH]ccc23)CC1.

What is the InChIKey of 6-chloro-4-(1-cyclopentylsulfonylpiperidin-4-yl)-1H-indole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;6-chloro-4-(1-propylsulfonylpiperidin-4-yl)-1H-indole;1-[4-(6-cyclopentyl-1H-indol-4-yl)piperazin-1-yl]ethanone?

The InChIKey is HJZMXGUCHDVWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O.C18H23ClN2O2S.2C16H21ClN2O2S/c1-14(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;19-14-11-17(16-5-8-20-18(16)12-14)13-6-9-21(10-7-13)24(22,23)15-3-1-2-4-15;1-11(2)22(20,21)19-7-4-12(5-8-19)15-9-13(17)10-16-14(15)3-6-18-16;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/h6-7,12-13,15,20H,2-5,8-11H2,1H3;5,8,11-13,15,20H,1-4,6-7,9-10H2;3,6,9-12,18H,4-5,7-8H2,1-2H3;3,6,10-12,18H,2,4-5,7-9H2,1H3.

What are the key properties of 6-chloro-4-(1-cyclopentylsulfonylpiperidin-4-yl)-1H-indole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;6-chloro-4-(1-propylsulfonylpiperidin-4-yl)-1H-indole;1-[4-(6-cyclopentyl-1H-indol-4-yl)piperazin-1-yl]ethanone?

6-chloro-4-(1-cyclopentylsulfonylpiperidin-4-yl)-1H-indole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;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 1360.09 g/mol, XLogP of 15.25, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-4-(1-cyclopentylsulfonylpiperidin-4-yl)-1H-indole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;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 158501900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).