3-(4-methylpiperazin-1-yl)imidazolidine-2,4-dione

C8H14N4O2 — CID 107842329

IUPAC3-(4-methylpiperazin-1-yl)imidazolidine-2,4-dione
SMILESCN1CCN(N2C(=O)CNC2=O)CC1
InChIInChI=1S/C8H14N4O2/c1-10-2-4-11(5-3-10)12-7(13)6-9-8(12)14/h2-6H2,1H3,(H,9,14)
InChIKeyIIXZNNNTUYAYKV-UHFFFAOYSA-N
MW198.23 g/mol
LogP-1.30
Rot. Bonds1

About 3-(4-methylpiperazin-1-yl)imidazolidine-2,4-dione

3-(4-methylpiperazin-1-yl)imidazolidine-2,4-dione (PubChem CID 107842329) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)imidazolidine-2,4-dione
PubChem CID107842329
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name3-(4-methylpiperazin-1-yl)imidazolidine-2,4-dione
SMILESCN1CCN(N2C(=O)CNC2=O)CC1
InChIInChI=1S/C8H14N4O2/c1-10-2-4-11(5-3-10)12-7(13)6-9-8(12)14/h2-6H2,1H3,(H,9,14)
InChIKeyIIXZNNNTUYAYKV-UHFFFAOYSA-N
XLogP-1.30
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-1.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-piperidin-1-ylimidazolidine-2,4-dione
CID 107842327
3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 60634910
3-methylimidazolidine-2,4-dione;molecular hydrogen
CID 165132558
1-(4-methylpiperazin-1-yl)-3H-indol-2-one
CID 23353982
3,5-dimethyl-1,3,5-triazepane-2,4,6-trione
CID 155106929
4-methyl-1,4,7,10-tetrazabicyclo[8.2.1]tridecan-13-one
CID 163864971
3-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione
CID 103601173
4,10-dimethyl-1,4,7,10-tetrazabicyclo[5.5.5]heptadecane-13,17-dione
CID 10424666
3-(chloromethyl)imidazolidine-2,4-dione
CID 55286294
aziridin-2-one
CID 158991665
1,4-dimethylpiperazine;ethane
CID 91292414
3-[(4-methylpiperazin-1-yl)methylidene]pyrrolidine-2,4-dione
CID 3250934

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)imidazolidine-2,4-dione?
The IUPAC name of 3-(4-methylpiperazin-1-yl)imidazolidine-2,4-dione (CID 107842329) is 3-(4-methylpiperazin-1-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)imidazolidine-2,4-dione is CN1CCN(N2C(=O)CNC2=O)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)imidazolidine-2,4-dione?
The InChIKey is IIXZNNNTUYAYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-10-2-4-11(5-3-10)12-7(13)6-9-8(12)14/h2-6H2,1H3,(H,9,14).
What are the key properties of 3-(4-methylpiperazin-1-yl)imidazolidine-2,4-dione?
3-(4-methylpiperazin-1-yl)imidazolidine-2,4-dione has a molecular weight of 198.23 g/mol, XLogP of -1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 107842329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).