[3-(1-butan-2-ylpiperidin-4-yl)-1H-indol-5-yl]-(4-iodophenyl)methanone;[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]-(2-iodophenyl)methanone;(2-methoxyphenyl)-[3-(1-pentan-2-ylpiperidin-4-yl)-1H-indol-5-yl]methanone

C72H82I2N6O4 — CID 159541574

About [3-(1-butan-2-ylpiperidin-4-yl)-1H-indol-5-yl]-(4-iodophenyl)methanone;[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]-(2-iodophenyl)methanone;(2-methoxyphenyl)-[3-(1-pentan-2-ylpiperidin-4-yl)-1H-indol-5-yl]methanone

[3-(1-butan-2-ylpiperidin-4-yl)-1H-indol-5-yl]-(4-iodophenyl)methanone;[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]-(2-iodophenyl)methanone;(2-methoxyphenyl)-[3-(1-pentan-2-ylpiperidin-4-yl)-1H-indol-5-yl]methanone (PubChem CID 159541574) has the molecular formula C72H82I2N6O4 and a molecular weight of 1349.29 g/mol. Its IUPAC name is [3-(1-butan-2-ylpiperidin-4-yl)-1H-indol-5-yl]-(4-iodophenyl)methanone;[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]-(2-iodophenyl)methanone;(2-methoxyphenyl)-[3-(1-pentan-2-ylpiperidin-4-yl)-1H-indol-5-yl]methanone.

Molecular Properties

• Compound Name: [3-(1-butan-2-ylpiperidin-4-yl)-1H-indol-5-yl]-(4-iodophenyl)methanone;[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]-(2-iodophenyl)methanone;(2-methoxyphenyl)-[3-(1-pentan-2-ylpiperidin-4-yl)-1H-indol-5-yl]methanone
• PubChem CID: 159541574
• Molecular Formula: C72H82I2N6O4
• Molecular Weight: 1349.29 g/mol
• Exact Mass: 1348.45
• IUPAC Name: [3-(1-butan-2-ylpiperidin-4-yl)-1H-indol-5-yl]-(4-iodophenyl)methanone;[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]-(2-iodophenyl)methanone;(2-methoxyphenyl)-[3-(1-pentan-2-ylpiperidin-4-yl)-1H-indol-5-yl]methanone
• SMILES: CCC(C)N1CCC(c2c[nH]c3ccc(C(=O)c4ccc(I)cc4)cc23)CC1.CCCC(C)N1CCC(c2c[nH]c3ccc(C(=O)c4ccccc4OC)cc23)CC1.CCN1CCC(c2c[nH]c3ccc(C(=O)c4ccccc4I)cc23)CC1
• InChI: InChI=1S/C26H32N2O2.C24H27IN2O.C22H23IN2O/c1-4-7-18(2)28-14-12-19(13-15-28)23-17-27-24-11-10-20(16-22(23)24)26(29)21-8-5-6-9-25(21)30-3;1-3-16(2)27-12-10-17(11-13-27)22-15-26-23-9-6-19(14-21(22)23)24(28)18-4-7-20(25)8-5-18;1-2-25-11-9-15(10-12-25)19-14-24-21-8-7-16(13-18(19)21)22(26)17-5-3-4-6-20(17)23/h5-6,8-11,16-19,27H,4,7,12-15H2,1-3H3;4-9,14-17,26H,3,10-13H2,1-2H3;3-8,13-15,24H,2,9-12H2,1H3
• InChIKey: MEGXFJNSMCEFRD-UHFFFAOYSA-N
• XLogP: 16.96
• TPSA: 117.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 16
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1349.29
LogP ≤ 5	16.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-(1-butan-2-ylpiperidin-4-yl)-1H-indol-5-yl]-(4-iodophenyl)methanone;[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]-(2-iodophenyl)methanone;(2-methoxyphenyl)-[3-(1-pentan-2-ylpiperidin-4-yl)-1H-indol-5-yl]methanone?

The IUPAC name of [3-(1-butan-2-ylpiperidin-4-yl)-1H-indol-5-yl]-(4-iodophenyl)methanone;[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]-(2-iodophenyl)methanone;(2-methoxyphenyl)-[3-(1-pentan-2-ylpiperidin-4-yl)-1H-indol-5-yl]methanone (CID 159541574) is [3-(1-butan-2-ylpiperidin-4-yl)-1H-indol-5-yl]-(4-iodophenyl)methanone;[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]-(2-iodophenyl)methanone;(2-methoxyphenyl)-[3-(1-pentan-2-ylpiperidin-4-yl)-1H-indol-5-yl]methanone.

What is the SMILES notation for [3-(1-butan-2-ylpiperidin-4-yl)-1H-indol-5-yl]-(4-iodophenyl)methanone;[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]-(2-iodophenyl)methanone;(2-methoxyphenyl)-[3-(1-pentan-2-ylpiperidin-4-yl)-1H-indol-5-yl]methanone?

The canonical SMILES for [3-(1-butan-2-ylpiperidin-4-yl)-1H-indol-5-yl]-(4-iodophenyl)methanone;[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]-(2-iodophenyl)methanone;(2-methoxyphenyl)-[3-(1-pentan-2-ylpiperidin-4-yl)-1H-indol-5-yl]methanone is CCC(C)N1CCC(c2c[nH]c3ccc(C(=O)c4ccc(I)cc4)cc23)CC1.CCCC(C)N1CCC(c2c[nH]c3ccc(C(=O)c4ccccc4OC)cc23)CC1.CCN1CCC(c2c[nH]c3ccc(C(=O)c4ccccc4I)cc23)CC1.

What is the InChIKey of [3-(1-butan-2-ylpiperidin-4-yl)-1H-indol-5-yl]-(4-iodophenyl)methanone;[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]-(2-iodophenyl)methanone;(2-methoxyphenyl)-[3-(1-pentan-2-ylpiperidin-4-yl)-1H-indol-5-yl]methanone?

The InChIKey is MEGXFJNSMCEFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O2.C24H27IN2O.C22H23IN2O/c1-4-7-18(2)28-14-12-19(13-15-28)23-17-27-24-11-10-20(16-22(23)24)26(29)21-8-5-6-9-25(21)30-3;1-3-16(2)27-12-10-17(11-13-27)22-15-26-23-9-6-19(14-21(22)23)24(28)18-4-7-20(25)8-5-18;1-2-25-11-9-15(10-12-25)19-14-24-21-8-7-16(13-18(19)21)22(26)17-5-3-4-6-20(17)23/h5-6,8-11,16-19,27H,4,7,12-15H2,1-3H3;4-9,14-17,26H,3,10-13H2,1-2H3;3-8,13-15,24H,2,9-12H2,1H3.

What are the key properties of [3-(1-butan-2-ylpiperidin-4-yl)-1H-indol-5-yl]-(4-iodophenyl)methanone;[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]-(2-iodophenyl)methanone;(2-methoxyphenyl)-[3-(1-pentan-2-ylpiperidin-4-yl)-1H-indol-5-yl]methanone?

[3-(1-butan-2-ylpiperidin-4-yl)-1H-indol-5-yl]-(4-iodophenyl)methanone;[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]-(2-iodophenyl)methanone;(2-methoxyphenyl)-[3-(1-pentan-2-ylpiperidin-4-yl)-1H-indol-5-yl]methanone has a molecular weight of 1349.29 g/mol, XLogP of 16.96, 16 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(1-butan-2-ylpiperidin-4-yl)-1H-indol-5-yl]-(4-iodophenyl)methanone;[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]-(2-iodophenyl)methanone;(2-methoxyphenyl)-[3-(1-pentan-2-ylpiperidin-4-yl)-1H-indol-5-yl]methanone is sourced from PubChem (CID 159541574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).