1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methylindol-3-yl]ethanone

C108H126ClF3N10O9S — CID 158413353

About 1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methylindol-3-yl]ethanone

1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methylindol-3-yl]ethanone (PubChem CID 158413353) has the molecular formula C108H126ClF3N10O9S and a molecular weight of 1832.77 g/mol. Its IUPAC name is 1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methylindol-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methylindol-3-yl]ethanone
• PubChem CID: 158413353
• Molecular Formula: C108H126ClF3N10O9S
• Molecular Weight: 1832.77 g/mol
• Exact Mass: 1830.91
• IUPAC Name: 1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methylindol-3-yl]ethanone
• SMILES: CC(=O)c1cn(CCCN2CCC(Oc3ccc(F)cc3)CC2)c2c(C)cccc12.CC(=O)c1cn(CCCN2CCCN(Cc3ccc(F)cc3)CC2)c2c(C)cccc12.COc1cccc2c(C(=O)Cc3ccccc3)cn(CCCN3CCCN(Cc4ccc(F)cc4)CC3)c12.COc1cccc2c(C(C)=O)cn(CCCN3CCC(S(=O)(=O)c4ccc(Cl)cc4)CC3)c12
• InChI: InChI=1S/C32H36FN3O2.C26H32FN3O.C25H29ClN2O4S.C25H29FN2O2/c1-38-31-11-5-10-28-29(30(37)22-25-8-3-2-4-9-25)24-36(32(28)31)19-7-17-34-16-6-18-35(21-20-34)23-26-12-14-27(33)15-13-26;1-20-6-3-7-24-25(21(2)31)19-30(26(20)24)15-5-13-28-12-4-14-29(17-16-28)18-22-8-10-23(27)11-9-22;1-18(29)23-17-28(25-22(23)5-3-6-24(25)32-2)14-4-13-27-15-11-21(12-16-27)33(30,31)20-9-7-19(26)8-10-20;1-18-5-3-6-23-24(19(2)29)17-28(25(18)23)14-4-13-27-15-11-22(12-16-27)30-21-9-7-20(26)8-10-21/h2-5,8-15,24H,6-7,16-23H2,1H3;3,6-11,19H,4-5,12-18H2,1-2H3;3,5-10,17,21H,4,11-16H2,1-2H3;3,5-10,17,22H,4,11-16H2,1-2H3
• InChIKey: GZOUCUDXXOZXMI-UHFFFAOYSA-N
• XLogP: 20.76
• TPSA: 169.27 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 32
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1832.77
LogP ≤ 5	20.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methylindol-3-yl]ethanone?

The IUPAC name of 1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methylindol-3-yl]ethanone (CID 158413353) is 1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methylindol-3-yl]ethanone.

What is the SMILES notation for 1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methylindol-3-yl]ethanone?

The canonical SMILES for 1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methylindol-3-yl]ethanone is CC(=O)c1cn(CCCN2CCC(Oc3ccc(F)cc3)CC2)c2c(C)cccc12.CC(=O)c1cn(CCCN2CCCN(Cc3ccc(F)cc3)CC2)c2c(C)cccc12.COc1cccc2c(C(=O)Cc3ccccc3)cn(CCCN3CCCN(Cc4ccc(F)cc4)CC3)c12.COc1cccc2c(C(C)=O)cn(CCCN3CCC(S(=O)(=O)c4ccc(Cl)cc4)CC3)c12.

What is the InChIKey of 1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methylindol-3-yl]ethanone?

The InChIKey is GZOUCUDXXOZXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36FN3O2.C26H32FN3O.C25H29ClN2O4S.C25H29FN2O2/c1-38-31-11-5-10-28-29(30(37)22-25-8-3-2-4-9-25)24-36(32(28)31)19-7-17-34-16-6-18-35(21-20-34)23-26-12-14-27(33)15-13-26;1-20-6-3-7-24-25(21(2)31)19-30(26(20)24)15-5-13-28-12-4-14-29(17-16-28)18-22-8-10-23(27)11-9-22;1-18(29)23-17-28(25-22(23)5-3-6-24(25)32-2)14-4-13-27-15-11-21(12-16-27)33(30,31)20-9-7-19(26)8-10-20;1-18-5-3-6-23-24(19(2)29)17-28(25(18)23)14-4-13-27-15-11-22(12-16-27)30-21-9-7-20(26)8-10-21/h2-5,8-15,24H,6-7,16-23H2,1H3;3,6-11,19H,4-5,12-18H2,1-2H3;3,5-10,17,21H,4,11-16H2,1-2H3;3,5-10,17,22H,4,11-16H2,1-2H3.

What are the key properties of 1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methylindol-3-yl]ethanone?

1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methylindol-3-yl]ethanone has a molecular weight of 1832.77 g/mol, XLogP of 20.76, 32 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methylindol-3-yl]ethanone is sourced from PubChem (CID 158413353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).