1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propan-2-yloxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;1-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone;tungsten

C161H203ClIN17O12W6-6 — CID 159507743

About 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propan-2-yloxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;1-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone;tungsten

1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propan-2-yloxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;1-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone;tungsten (PubChem CID 159507743) has the molecular formula C161H203ClIN17O12W6-6 and a molecular weight of 3833.90 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propan-2-yloxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;1-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone;tungsten.

Molecular Properties

• Compound Name: 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propan-2-yloxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;1-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone;tungsten
• PubChem CID: 159507743
• Molecular Formula: C161H203ClIN17O12W6-6
• Molecular Weight: 3833.90 g/mol
• Exact Mass: 3832.16
• IUPAC Name: 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propan-2-yloxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;1-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone;tungsten
• SMILES: CCCOC1CCN(CC(=O)c2cc(C)n(-c3cc[c-]cc3)c2C)CC1.COC1CCCN(CC(=O)c2cc(C)n(-c3cc[c-]cc3)c2C)C1.COC1CCN(CC(=O)c2cc(C)n(-c3cc[c-]cc3)c2C)C1.Cc1cc(C(=O)CN2CCC(C)(C)CC2)c(C)n1-c1cc[c-]cc1.Cc1cc(C(=O)CN2CCC(OC(C)C)CC2)c(C)n1-c1cc[c-]cc1.Cc1cc(C(=O)CN2CCCCC2)c(C)n1-c1ccc(Cl)cc1.Cc1cc(C(=O)CN2CCCCC2)c(C)n1-c1ccc(I)cc1.Cc1cc(C(=O)CN2CCN(C)CC2)c(C)n1-c1cc[c-]cc1.[W].[W].[W].[W].[W].[W]
• InChI: InChI=1S/2C22H29N2O2.C21H27N2O.C20H25N2O2.C19H23ClN2O.C19H23IN2O.C19H24N3O.C19H23N2O2.6W/c1-16(2)26-20-10-12-23(13-11-20)15-22(25)21-14-17(3)24(18(21)4)19-8-6-5-7-9-19;1-4-14-26-20-10-12-23(13-11-20)16-22(25)21-15-17(2)24(18(21)3)19-8-6-5-7-9-19;1-16-14-19(17(2)23(16)18-8-6-5-7-9-18)20(24)15-22-12-10-21(3,4)11-13-22;1-15-12-19(16(2)22(15)17-8-5-4-6-9-17)20(23)14-21-11-7-10-18(13-21)24-3;2*1-14-12-18(19(23)13-21-10-4-3-5-11-21)15(2)22(14)17-8-6-16(20)7-9-17;1-15-13-18(16(2)22(15)17-7-5-4-6-8-17)19(23)14-21-11-9-20(3)10-12-21;1-14-11-18(15(2)21(14)16-7-5-4-6-8-16)19(22)13-20-10-9-17(12-20)23-3;;;;;;/h6-9,14,16,20H,10-13,15H2,1-4H3;6-9,15,20H,4,10-14,16H2,1-3H3;6-9,14H,10-13,15H2,1-4H3;5-6,8-9,12,18H,7,10-11,13-14H2,1-3H3;2*6-9,12H,3-5,10-11,13H2,1-2H3;5-8,13H,9-12,14H2,1-3H3;5-8,11,17H,9-10,12-13H2,1-3H3;;;;;;/q4*-1;;;2*-1
• InChIKey: FKZJEQWHALKUGI-UHFFFAOYSA-N
• XLogP: 29.21
• TPSA: 242.08 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 39
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3833.90
LogP ≤ 5	29.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propan-2-yloxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;1-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone;tungsten?

The IUPAC name of 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propan-2-yloxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;1-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone;tungsten (CID 159507743) is 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propan-2-yloxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;1-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone;tungsten.

What is the SMILES notation for 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propan-2-yloxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;1-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone;tungsten?

The canonical SMILES for 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propan-2-yloxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;1-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone;tungsten is CCCOC1CCN(CC(=O)c2cc(C)n(-c3cc[c-]cc3)c2C)CC1.COC1CCCN(CC(=O)c2cc(C)n(-c3cc[c-]cc3)c2C)C1.COC1CCN(CC(=O)c2cc(C)n(-c3cc[c-]cc3)c2C)C1.Cc1cc(C(=O)CN2CCC(C)(C)CC2)c(C)n1-c1cc[c-]cc1.Cc1cc(C(=O)CN2CCC(OC(C)C)CC2)c(C)n1-c1cc[c-]cc1.Cc1cc(C(=O)CN2CCCCC2)c(C)n1-c1ccc(Cl)cc1.Cc1cc(C(=O)CN2CCCCC2)c(C)n1-c1ccc(I)cc1.Cc1cc(C(=O)CN2CCN(C)CC2)c(C)n1-c1cc[c-]cc1.[W].[W].[W].[W].[W].[W].

What is the InChIKey of 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propan-2-yloxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;1-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone;tungsten?

The InChIKey is FKZJEQWHALKUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H29N2O2.C21H27N2O.C20H25N2O2.C19H23ClN2O.C19H23IN2O.C19H24N3O.C19H23N2O2.6W/c1-16(2)26-20-10-12-23(13-11-20)15-22(25)21-14-17(3)24(18(21)4)19-8-6-5-7-9-19;1-4-14-26-20-10-12-23(13-11-20)16-22(25)21-15-17(2)24(18(21)3)19-8-6-5-7-9-19;1-16-14-19(17(2)23(16)18-8-6-5-7-9-18)20(24)15-22-12-10-21(3,4)11-13-22;1-15-12-19(16(2)22(15)17-8-5-4-6-9-17)20(23)14-21-11-7-10-18(13-21)24-3;2*1-14-12-18(19(23)13-21-10-4-3-5-11-21)15(2)22(14)17-8-6-16(20)7-9-17;1-15-13-18(16(2)22(15)17-7-5-4-6-8-17)19(23)14-21-11-9-20(3)10-12-21;1-14-11-18(15(2)21(14)16-7-5-4-6-8-16)19(22)13-20-10-9-17(12-20)23-3;;;;;;/h6-9,14,16,20H,10-13,15H2,1-4H3;6-9,15,20H,4,10-14,16H2,1-3H3;6-9,14H,10-13,15H2,1-4H3;5-6,8-9,12,18H,7,10-11,13-14H2,1-3H3;2*6-9,12H,3-5,10-11,13H2,1-2H3;5-8,13H,9-12,14H2,1-3H3;5-8,11,17H,9-10,12-13H2,1-3H3;;;;;;/q4*-1;;;2*-1;;;;;;.

What are the key properties of 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propan-2-yloxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;1-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone;tungsten?

1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propan-2-yloxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;1-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone;tungsten has a molecular weight of 3833.90 g/mol, XLogP of 29.21, 39 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propan-2-yloxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;1-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone;tungsten is sourced from PubChem (CID 159507743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).