1-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione

C11H18N4O3 — CID 60644567

IUPAC1-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCN1CCN(C(=O)CN2C(=O)CN(C)C2=O)CC1
InChIInChI=1S/C11H18N4O3/c1-12-3-5-14(6-4-12)9(16)8-15-10(17)7-13(2)11(15)18/h3-8H2,1-2H3
InChIKeyIZPWPQXLFRRQDJ-UHFFFAOYSA-N
MW254.29 g/mol
LogP-1.35
Rot. Bonds2

About 1-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione

1-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 60644567) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID60644567
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name1-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCN1CCN(C(=O)CN2C(=O)CN(C)C2=O)CC1
InChIInChI=1S/C11H18N4O3/c1-12-3-5-14(6-4-12)9(16)8-15-10(17)7-13(2)11(15)18/h3-8H2,1-2H3
InChIKeyIZPWPQXLFRRQDJ-UHFFFAOYSA-N
XLogP-1.35
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-1.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 1-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione (CID 60644567) is 1-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione is CN1CCN(C(=O)CN2C(=O)CN(C)C2=O)CC1.
What is the InChIKey of 1-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is IZPWPQXLFRRQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-12-3-5-14(6-4-12)9(16)8-15-10(17)7-13(2)11(15)18/h3-8H2,1-2H3.
What are the key properties of 1-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione?
1-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 254.29 g/mol, XLogP of -1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 60644567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).