dipotassium;1-[1-[2-(4-ethynylphenoxy)acetyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione;hydride;methanol;oxido formate;3-phenyl-1-[1-[2-[4-(2-trimethylsilylethynyl)phenoxy]acetyl]piperidin-4-yl]imidazolidine-2,4-dione

C53H60K2N6O12Si — CID 167566625

About dipotassium;1-[1-[2-(4-ethynylphenoxy)acetyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione;hydride;methanol;oxido formate;3-phenyl-1-[1-[2-[4-(2-trimethylsilylethynyl)phenoxy]acetyl]piperidin-4-yl]imidazolidine-2,4-dione

dipotassium;1-[1-[2-(4-ethynylphenoxy)acetyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione;hydride;methanol;oxido formate;3-phenyl-1-[1-[2-[4-(2-trimethylsilylethynyl)phenoxy]acetyl]piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 167566625) has the molecular formula C53H60K2N6O12Si and a molecular weight of 1079.37 g/mol. Its IUPAC name is dipotassium;1-[1-[2-(4-ethynylphenoxy)acetyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione;hydride;methanol;oxido formate;3-phenyl-1-[1-[2-[4-(2-trimethylsilylethynyl)phenoxy]acetyl]piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: dipotassium;1-[1-[2-(4-ethynylphenoxy)acetyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione;hydride;methanol;oxido formate;3-phenyl-1-[1-[2-[4-(2-trimethylsilylethynyl)phenoxy]acetyl]piperidin-4-yl]imidazolidine-2,4-dione
• PubChem CID: 167566625
• Molecular Formula: C53H60K2N6O12Si
• Molecular Weight: 1079.37 g/mol
• Exact Mass: 1078.33
• IUPAC Name: dipotassium;1-[1-[2-(4-ethynylphenoxy)acetyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione;hydride;methanol;oxido formate;3-phenyl-1-[1-[2-[4-(2-trimethylsilylethynyl)phenoxy]acetyl]piperidin-4-yl]imidazolidine-2,4-dione
• SMILES: C#Cc1ccc(OCC(=O)N2CCC(N3CC(=O)N(c4ccccc4)C3=O)CC2)cc1.CO.C[Si](C)(C)C#Cc1ccc(OCC(=O)N2CCC(N3CC(=O)N(c4ccccc4)C3=O)CC2)cc1.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C27H31N3O4Si.C24H23N3O4.CH2O3.CH4O.2K.H/c1-35(2,3)18-15-21-9-11-24(12-10-21)34-20-26(32)28-16-13-22(14-17-28)29-19-25(31)30(27(29)33)23-7-5-4-6-8-23;1-2-18-8-10-21(11-9-18)31-17-23(29)25-14-12-19(13-15-25)26-16-22(28)27(24(26)30)20-6-4-3-5-7-20;2-1-4-3;1-2;;;/h4-12,22H,13-14,16-17,19-20H2,1-3H3;1,3-11,19H,12-17H2;1,3H;2H,1H3;;;/q;;;;2*+1;-1/p-1
• InChIKey: HSLUVOUCXFAZSC-UHFFFAOYSA-M
• XLogP: -1.58
• TPSA: 209.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1079.37
LogP ≤ 5	-1.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;1-[1-[2-(4-ethynylphenoxy)acetyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione;hydride;methanol;oxido formate;3-phenyl-1-[1-[2-[4-(2-trimethylsilylethynyl)phenoxy]acetyl]piperidin-4-yl]imidazolidine-2,4-dione?

The IUPAC name of dipotassium;1-[1-[2-(4-ethynylphenoxy)acetyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione;hydride;methanol;oxido formate;3-phenyl-1-[1-[2-[4-(2-trimethylsilylethynyl)phenoxy]acetyl]piperidin-4-yl]imidazolidine-2,4-dione (CID 167566625) is dipotassium;1-[1-[2-(4-ethynylphenoxy)acetyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione;hydride;methanol;oxido formate;3-phenyl-1-[1-[2-[4-(2-trimethylsilylethynyl)phenoxy]acetyl]piperidin-4-yl]imidazolidine-2,4-dione.

What is the SMILES notation for dipotassium;1-[1-[2-(4-ethynylphenoxy)acetyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione;hydride;methanol;oxido formate;3-phenyl-1-[1-[2-[4-(2-trimethylsilylethynyl)phenoxy]acetyl]piperidin-4-yl]imidazolidine-2,4-dione?

The canonical SMILES for dipotassium;1-[1-[2-(4-ethynylphenoxy)acetyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione;hydride;methanol;oxido formate;3-phenyl-1-[1-[2-[4-(2-trimethylsilylethynyl)phenoxy]acetyl]piperidin-4-yl]imidazolidine-2,4-dione is C#Cc1ccc(OCC(=O)N2CCC(N3CC(=O)N(c4ccccc4)C3=O)CC2)cc1.CO.C[Si](C)(C)C#Cc1ccc(OCC(=O)N2CCC(N3CC(=O)N(c4ccccc4)C3=O)CC2)cc1.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;1-[1-[2-(4-ethynylphenoxy)acetyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione;hydride;methanol;oxido formate;3-phenyl-1-[1-[2-[4-(2-trimethylsilylethynyl)phenoxy]acetyl]piperidin-4-yl]imidazolidine-2,4-dione?

The InChIKey is HSLUVOUCXFAZSC-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H31N3O4Si.C24H23N3O4.CH2O3.CH4O.2K.H/c1-35(2,3)18-15-21-9-11-24(12-10-21)34-20-26(32)28-16-13-22(14-17-28)29-19-25(31)30(27(29)33)23-7-5-4-6-8-23;1-2-18-8-10-21(11-9-18)31-17-23(29)25-14-12-19(13-15-25)26-16-22(28)27(24(26)30)20-6-4-3-5-7-20;2-1-4-3;1-2;;;/h4-12,22H,13-14,16-17,19-20H2,1-3H3;1,3-11,19H,12-17H2;1,3H;2H,1H3;;;/q;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;1-[1-[2-(4-ethynylphenoxy)acetyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione;hydride;methanol;oxido formate;3-phenyl-1-[1-[2-[4-(2-trimethylsilylethynyl)phenoxy]acetyl]piperidin-4-yl]imidazolidine-2,4-dione?

dipotassium;1-[1-[2-(4-ethynylphenoxy)acetyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione;hydride;methanol;oxido formate;3-phenyl-1-[1-[2-[4-(2-trimethylsilylethynyl)phenoxy]acetyl]piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 1079.37 g/mol, XLogP of -1.58, 11 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;1-[1-[2-(4-ethynylphenoxy)acetyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione;hydride;methanol;oxido formate;3-phenyl-1-[1-[2-[4-(2-trimethylsilylethynyl)phenoxy]acetyl]piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 167566625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).