3-[2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride

C18H29ClN6O3 — CID 171667409

About 3-[2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride

3-[2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride (PubChem CID 171667409) has the molecular formula C18H29ClN6O3 and a molecular weight of 412.92 g/mol. Its IUPAC name is 3-[2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride.

Molecular Properties

• Compound Name: 3-[2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride
• PubChem CID: 171667409
• Molecular Formula: C18H29ClN6O3
• Molecular Weight: 412.92 g/mol
• Exact Mass: 412.20
• IUPAC Name: 3-[2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride
• SMILES: CCn1cc(CN2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)CC2)c(C)n1.Cl
• InChI: InChI=1S/C18H28N6O3.ClH/c1-5-23-11-14(13(2)20-23)10-21-6-8-22(9-7-21)15(25)12-24-16(26)18(3,4)19-17(24)27;/h11H,5-10,12H2,1-4H3,(H,19,27);1H
• InChIKey: RVSSTABWSMEPNQ-UHFFFAOYSA-N
• XLogP: 0.61
• TPSA: 90.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.92
LogP ≤ 5	0.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride?

The IUPAC name of 3-[2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride (CID 171667409) is 3-[2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride.

What is the SMILES notation for 3-[2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride?

The canonical SMILES for 3-[2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride is CCn1cc(CN2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)CC2)c(C)n1.Cl.

What is the InChIKey of 3-[2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride?

The InChIKey is RVSSTABWSMEPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O3.ClH/c1-5-23-11-14(13(2)20-23)10-21-6-8-22(9-7-21)15(25)12-24-16(26)18(3,4)19-17(24)27;/h11H,5-10,12H2,1-4H3,(H,19,27);1H.

What are the key properties of 3-[2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride?

3-[2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride has a molecular weight of 412.92 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 171667409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).