1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;[1-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]piperidin-4-yl]-phenylmethanone

C103H123ClF3N9O8S — CID 161223373

About 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;[1-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]piperidin-4-yl]-phenylmethanone

1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;[1-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]piperidin-4-yl]-phenylmethanone (PubChem CID 161223373) has the molecular formula C103H123ClF3N9O8S and a molecular weight of 1739.69 g/mol. Its IUPAC name is 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;[1-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]piperidin-4-yl]-phenylmethanone.

Molecular Properties

• Compound Name: 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;[1-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]piperidin-4-yl]-phenylmethanone
• PubChem CID: 161223373
• Molecular Formula: C103H123ClF3N9O8S
• Molecular Weight: 1739.69 g/mol
• Exact Mass: 1737.89
• IUPAC Name: 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;[1-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]piperidin-4-yl]-phenylmethanone
• SMILES: CCCCC1CCN(CCCn2cc(C(=O)CC(C)C)c3ccccc32)CC1.COc1ccc2c(C(C)=O)cn(CCCN3CCC(Oc4ccc(Cl)cc4)CC3)c2c1.COc1cccc2c(C(=O)C3CC3)cn(CCCN3CCC(C(=O)c4ccccc4)CC3)c12.O=C(c1cn(CCCN2CCC(c3nc4ccccc4s3)CC2)c2ccccc12)C(F)(F)F
• InChI: InChI=1S/C28H32N2O3.C25H29ClN2O3.C25H24F3N3OS.C25H38N2O/c1-33-25-10-5-9-23-24(28(32)21-11-12-21)19-30(26(23)25)16-6-15-29-17-13-22(14-18-29)27(31)20-7-3-2-4-8-20;1-18(29)24-17-28(25-16-22(30-2)8-9-23(24)25)13-3-12-27-14-10-21(11-15-27)31-20-6-4-19(26)5-7-20;26-25(27,28)23(32)19-16-31(21-8-3-1-6-18(19)21)13-5-12-30-14-10-17(11-15-30)24-29-20-7-2-4-9-22(20)33-24;1-4-5-9-21-12-16-26(17-13-21)14-8-15-27-19-23(25(28)18-20(2)3)22-10-6-7-11-24(22)27/h2-5,7-10,19,21-22H,6,11-18H2,1H3;4-9,16-17,21H,3,10-15H2,1-2H3;1-4,6-9,16-17H,5,10-15H2;6-7,10-11,19-21H,4-5,8-9,12-18H2,1-3H3
• InChIKey: UXUPZDTUJXJXDI-UHFFFAOYSA-N
• XLogP: 23.10
• TPSA: 158.61 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 33
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1739.69
LogP ≤ 5	23.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;[1-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]piperidin-4-yl]-phenylmethanone?

The IUPAC name of 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;[1-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]piperidin-4-yl]-phenylmethanone (CID 161223373) is 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;[1-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]piperidin-4-yl]-phenylmethanone.

What is the SMILES notation for 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;[1-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]piperidin-4-yl]-phenylmethanone?

The canonical SMILES for 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;[1-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]piperidin-4-yl]-phenylmethanone is CCCCC1CCN(CCCn2cc(C(=O)CC(C)C)c3ccccc32)CC1.COc1ccc2c(C(C)=O)cn(CCCN3CCC(Oc4ccc(Cl)cc4)CC3)c2c1.COc1cccc2c(C(=O)C3CC3)cn(CCCN3CCC(C(=O)c4ccccc4)CC3)c12.O=C(c1cn(CCCN2CCC(c3nc4ccccc4s3)CC2)c2ccccc12)C(F)(F)F.

What is the InChIKey of 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;[1-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]piperidin-4-yl]-phenylmethanone?

The InChIKey is UXUPZDTUJXJXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3.C25H29ClN2O3.C25H24F3N3OS.C25H38N2O/c1-33-25-10-5-9-23-24(28(32)21-11-12-21)19-30(26(23)25)16-6-15-29-17-13-22(14-18-29)27(31)20-7-3-2-4-8-20;1-18(29)24-17-28(25-16-22(30-2)8-9-23(24)25)13-3-12-27-14-10-21(11-15-27)31-20-6-4-19(26)5-7-20;26-25(27,28)23(32)19-16-31(21-8-3-1-6-18(19)21)13-5-12-30-14-10-17(11-15-30)24-29-20-7-2-4-9-22(20)33-24;1-4-5-9-21-12-16-26(17-13-21)14-8-15-27-19-23(25(28)18-20(2)3)22-10-6-7-11-24(22)27/h2-5,7-10,19,21-22H,6,11-18H2,1H3;4-9,16-17,21H,3,10-15H2,1-2H3;1-4,6-9,16-17H,5,10-15H2;6-7,10-11,19-21H,4-5,8-9,12-18H2,1-3H3.

What are the key properties of 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;[1-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]piperidin-4-yl]-phenylmethanone?

1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;[1-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]piperidin-4-yl]-phenylmethanone has a molecular weight of 1739.69 g/mol, XLogP of 23.10, 33 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;[1-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]piperidin-4-yl]-phenylmethanone is sourced from PubChem (CID 161223373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).