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-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-(3-methylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;tungsten

C101H128N11O7W5-5 — CID 160552095

IUPAC1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4,4-dimethylpiperidin-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-(3-methylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;tungsten
SMILESCCCOC1CCN(CC(=O)c2cc(C)n(-c3cc[c-]cc3)c2C)CC1.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)CN2CCCC(C)C2)c(C)n1-c1cc[c-]cc1.Cc1cc(C(=O)CN2CCN(C)CC2)c(C)n1-c1cc[c-]cc1.[W].[W].[W].[W].[W]
InChIInChI=1S/C22H29N2O2.C21H27N2O.C20H25N2O.C19H24N3O.C19H23N2O2.5W/c1-4-14-26-20-10-12-23(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;1-15-8-7-11-21(13-15)14-20(23)19-12-16(2)22(17(19)3)18-9-5-4-6-10-18;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;;;;;/h6-9,15,20H,4,10-14,16H2,1-3H3;6-9,14H,10-13,15H2,1-4H3;5-6,9-10,12,15H,7-8,11,13-14H2,1-3H3;5-8,13H,9-12,14H2,1-3H3;5-8,11,17H,9-10,12-13H2,1-3H3;;;;;/q5*-1;;;;;
InChIKeyOJFCUDZBLZDLCW-UHFFFAOYSA-N
MW2527.40 g/mol
LogP17.09
Rot. Bonds24

About 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-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-(3-methylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;tungsten

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-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-(3-methylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;tungsten (PubChem CID 160552095) has the molecular formula C101H128N11O7W5-5 and a molecular weight of 2527.40 g/mol. Its IUPAC name is 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-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-(3-methylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;tungsten.

Molecular Properties

Compound Name1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4,4-dimethylpiperidin-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-(3-methylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;tungsten
PubChem CID160552095
Molecular FormulaC101H128N11O7W5-5
Molecular Weight2527.40 g/mol
Exact Mass2526.76
IUPAC Name1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4,4-dimethylpiperidin-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-(3-methylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;tungsten
SMILESCCCOC1CCN(CC(=O)c2cc(C)n(-c3cc[c-]cc3)c2C)CC1.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)CN2CCCC(C)C2)c(C)n1-c1cc[c-]cc1.Cc1cc(C(=O)CN2CCN(C)CC2)c(C)n1-c1cc[c-]cc1.[W].[W].[W].[W].[W]
InChIInChI=1S/C22H29N2O2.C21H27N2O.C20H25N2O.C19H24N3O.C19H23N2O2.5W/c1-4-14-26-20-10-12-23(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;1-15-8-7-11-21(13-15)14-20(23)19-12-16(2)22(17(19)3)18-9-5-4-6-10-18;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;;;;;/h6-9,15,20H,4,10-14,16H2,1-3H3;6-9,14H,10-13,15H2,1-4H3;5-6,9-10,12,15H,7-8,11,13-14H2,1-3H3;5-8,13H,9-12,14H2,1-3H3;5-8,11,17H,9-10,12-13H2,1-3H3;;;;;/q5*-1;;;;;
InChIKeyOJFCUDZBLZDLCW-UHFFFAOYSA-N
XLogP17.09
TPSA147.90 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002527.40
LogP ≤ 517.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 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-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-(3-methylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;tungsten?
The IUPAC name of 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-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-(3-methylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;tungsten (CID 160552095) is 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-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-(3-methylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;tungsten.
What is the SMILES notation for 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-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-(3-methylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;tungsten?
The canonical SMILES for 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-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-(3-methylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;tungsten is CCCOC1CCN(CC(=O)c2cc(C)n(-c3cc[c-]cc3)c2C)CC1.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)CN2CCCC(C)C2)c(C)n1-c1cc[c-]cc1.Cc1cc(C(=O)CN2CCN(C)CC2)c(C)n1-c1cc[c-]cc1.[W].[W].[W].[W].[W].
What is the InChIKey of 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-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-(3-methylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;tungsten?
The InChIKey is OJFCUDZBLZDLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N2O2.C21H27N2O.C20H25N2O.C19H24N3O.C19H23N2O2.5W/c1-4-14-26-20-10-12-23(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;1-15-8-7-11-21(13-15)14-20(23)19-12-16(2)22(17(19)3)18-9-5-4-6-10-18;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;;;;;/h6-9,15,20H,4,10-14,16H2,1-3H3;6-9,14H,10-13,15H2,1-4H3;5-6,9-10,12,15H,7-8,11,13-14H2,1-3H3;5-8,13H,9-12,14H2,1-3H3;5-8,11,17H,9-10,12-13H2,1-3H3;;;;;/q5*-1;;;;;.
What are the key properties of 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-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-(3-methylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;tungsten?
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-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-(3-methylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;tungsten has a molecular weight of 2527.40 g/mol, XLogP of 17.09, 24 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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-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-(3-methylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;tungsten is sourced from PubChem (CID 160552095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).