1-[1-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]butyl]indol-3-yl]ethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]-7-chloroindol-3-yl]ethanone;1-[1-[4-[4-(2-chlorophenoxy)piperidin-1-yl]butyl]indol-3-yl]ethanone;ethyl 1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperidine-4-carboxylate;3-methyl-1-[1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]butan-1-one

C123H156Cl2N12O9S — CID 158641005

About 1-[1-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]butyl]indol-3-yl]ethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]-7-chloroindol-3-yl]ethanone;1-[1-[4-[4-(2-chlorophenoxy)piperidin-1-yl]butyl]indol-3-yl]ethanone;ethyl 1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperidine-4-carboxylate;3-methyl-1-[1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]butan-1-one

1-[1-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]butyl]indol-3-yl]ethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]-7-chloroindol-3-yl]ethanone;1-[1-[4-[4-(2-chlorophenoxy)piperidin-1-yl]butyl]indol-3-yl]ethanone;ethyl 1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperidine-4-carboxylate;3-methyl-1-[1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]butan-1-one (PubChem CID 158641005) has the molecular formula C123H156Cl2N12O9S and a molecular weight of 2049.65 g/mol. Its IUPAC name is 1-[1-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]butyl]indol-3-yl]ethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]-7-chloroindol-3-yl]ethanone;1-[1-[4-[4-(2-chlorophenoxy)piperidin-1-yl]butyl]indol-3-yl]ethanone;ethyl 1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperidine-4-carboxylate;3-methyl-1-[1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]butan-1-one.

Molecular Properties

• Compound Name: 1-[1-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]butyl]indol-3-yl]ethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]-7-chloroindol-3-yl]ethanone;1-[1-[4-[4-(2-chlorophenoxy)piperidin-1-yl]butyl]indol-3-yl]ethanone;ethyl 1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperidine-4-carboxylate;3-methyl-1-[1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]butan-1-one
• PubChem CID: 158641005
• Molecular Formula: C123H156Cl2N12O9S
• Molecular Weight: 2049.65 g/mol
• Exact Mass: 2047.12
• IUPAC Name: 1-[1-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]butyl]indol-3-yl]ethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]-7-chloroindol-3-yl]ethanone;1-[1-[4-[4-(2-chlorophenoxy)piperidin-1-yl]butyl]indol-3-yl]ethanone;ethyl 1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperidine-4-carboxylate;3-methyl-1-[1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]butan-1-one
• SMILES: CC(=O)c1cn(CCCCN2CCC(Oc3ccccc3Cl)CC2)c2ccccc12.CC(=O)c1cn(CCCCN2CCC(c3nc4ccccc4s3)CC2)c2ccccc12.CC(C)CC(=O)c1cn(CCCN2CCN(C(C)c3ccccc3)CC2)c2ccccc12.CCCCC1CCN(CCCn2cc(C(C)=O)c3cccc(Cl)c32)CC1.CCOC(=O)C1CCN(CCCn2cc(C(C)=O)c3cccc(OC)c32)CC1
• InChI: InChI=1S/C28H37N3O.C26H29N3OS.C25H29ClN2O2.C22H31ClN2O.C22H30N2O4/c1-22(2)20-28(32)26-21-31(27-13-8-7-12-25(26)27)15-9-14-29-16-18-30(19-17-29)23(3)24-10-5-4-6-11-24;1-19(30)22-18-29(24-10-4-2-8-21(22)24)15-7-6-14-28-16-12-20(13-17-28)26-27-23-9-3-5-11-25(23)31-26;1-19(29)22-18-28(24-10-4-2-8-21(22)24)15-7-6-14-27-16-12-20(13-17-27)30-25-11-5-3-9-23(25)26;1-3-4-7-18-10-14-24(15-11-18)12-6-13-25-16-20(17(2)26)19-8-5-9-21(23)22(19)25;1-4-28-22(26)17-9-13-23(14-10-17)11-6-12-24-15-19(16(2)25)18-7-5-8-20(27-3)21(18)24/h4-8,10-13,21-23H,9,14-20H2,1-3H3;2-5,8-11,18,20H,6-7,12-17H2,1H3;2-5,8-11,18,20H,6-7,12-17H2,1H3;5,8-9,16,18H,3-4,6-7,10-15H2,1-2H3;5,7-8,15,17H,4,6,9-14H2,1-3H3
• InChIKey: IAJOVLXBSKTSMP-UHFFFAOYSA-N
• XLogP: 26.88
• TPSA: 187.09 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 40
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2049.65
LogP ≤ 5	26.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]butyl]indol-3-yl]ethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]-7-chloroindol-3-yl]ethanone;1-[1-[4-[4-(2-chlorophenoxy)piperidin-1-yl]butyl]indol-3-yl]ethanone;ethyl 1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperidine-4-carboxylate;3-methyl-1-[1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]butan-1-one?

The IUPAC name of 1-[1-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]butyl]indol-3-yl]ethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]-7-chloroindol-3-yl]ethanone;1-[1-[4-[4-(2-chlorophenoxy)piperidin-1-yl]butyl]indol-3-yl]ethanone;ethyl 1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperidine-4-carboxylate;3-methyl-1-[1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]butan-1-one (CID 158641005) is 1-[1-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]butyl]indol-3-yl]ethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]-7-chloroindol-3-yl]ethanone;1-[1-[4-[4-(2-chlorophenoxy)piperidin-1-yl]butyl]indol-3-yl]ethanone;ethyl 1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperidine-4-carboxylate;3-methyl-1-[1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]butan-1-one.

What is the SMILES notation for 1-[1-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]butyl]indol-3-yl]ethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]-7-chloroindol-3-yl]ethanone;1-[1-[4-[4-(2-chlorophenoxy)piperidin-1-yl]butyl]indol-3-yl]ethanone;ethyl 1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperidine-4-carboxylate;3-methyl-1-[1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]butan-1-one?

The canonical SMILES for 1-[1-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]butyl]indol-3-yl]ethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]-7-chloroindol-3-yl]ethanone;1-[1-[4-[4-(2-chlorophenoxy)piperidin-1-yl]butyl]indol-3-yl]ethanone;ethyl 1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperidine-4-carboxylate;3-methyl-1-[1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]butan-1-one is CC(=O)c1cn(CCCCN2CCC(Oc3ccccc3Cl)CC2)c2ccccc12.CC(=O)c1cn(CCCCN2CCC(c3nc4ccccc4s3)CC2)c2ccccc12.CC(C)CC(=O)c1cn(CCCN2CCN(C(C)c3ccccc3)CC2)c2ccccc12.CCCCC1CCN(CCCn2cc(C(C)=O)c3cccc(Cl)c32)CC1.CCOC(=O)C1CCN(CCCn2cc(C(C)=O)c3cccc(OC)c32)CC1.

What is the InChIKey of 1-[1-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]butyl]indol-3-yl]ethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]-7-chloroindol-3-yl]ethanone;1-[1-[4-[4-(2-chlorophenoxy)piperidin-1-yl]butyl]indol-3-yl]ethanone;ethyl 1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperidine-4-carboxylate;3-methyl-1-[1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]butan-1-one?

The InChIKey is IAJOVLXBSKTSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O.C26H29N3OS.C25H29ClN2O2.C22H31ClN2O.C22H30N2O4/c1-22(2)20-28(32)26-21-31(27-13-8-7-12-25(26)27)15-9-14-29-16-18-30(19-17-29)23(3)24-10-5-4-6-11-24;1-19(30)22-18-29(24-10-4-2-8-21(22)24)15-7-6-14-28-16-12-20(13-17-28)26-27-23-9-3-5-11-25(23)31-26;1-19(29)22-18-28(24-10-4-2-8-21(22)24)15-7-6-14-27-16-12-20(13-17-27)30-25-11-5-3-9-23(25)26;1-3-4-7-18-10-14-24(15-11-18)12-6-13-25-16-20(17(2)26)19-8-5-9-21(23)22(19)25;1-4-28-22(26)17-9-13-23(14-10-17)11-6-12-24-15-19(16(2)25)18-7-5-8-20(27-3)21(18)24/h4-8,10-13,21-23H,9,14-20H2,1-3H3;2-5,8-11,18,20H,6-7,12-17H2,1H3;2-5,8-11,18,20H,6-7,12-17H2,1H3;5,8-9,16,18H,3-4,6-7,10-15H2,1-2H3;5,7-8,15,17H,4,6,9-14H2,1-3H3.

What are the key properties of 1-[1-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]butyl]indol-3-yl]ethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]-7-chloroindol-3-yl]ethanone;1-[1-[4-[4-(2-chlorophenoxy)piperidin-1-yl]butyl]indol-3-yl]ethanone;ethyl 1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperidine-4-carboxylate;3-methyl-1-[1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]butan-1-one?

1-[1-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]butyl]indol-3-yl]ethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]-7-chloroindol-3-yl]ethanone;1-[1-[4-[4-(2-chlorophenoxy)piperidin-1-yl]butyl]indol-3-yl]ethanone;ethyl 1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperidine-4-carboxylate;3-methyl-1-[1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]butan-1-one has a molecular weight of 2049.65 g/mol, XLogP of 26.88, 40 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]butyl]indol-3-yl]ethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]-7-chloroindol-3-yl]ethanone;1-[1-[4-[4-(2-chlorophenoxy)piperidin-1-yl]butyl]indol-3-yl]ethanone;ethyl 1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperidine-4-carboxylate;3-methyl-1-[1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]butan-1-one is sourced from PubChem (CID 158641005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).