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

C11H19ClN4O3 — CID 119470881

IUPAC1-methyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride
SMILESCC1CNCCN1C(=O)CN1C(=O)CN(C)C1=O.Cl
InChIInChI=1S/C11H18N4O3.ClH/c1-8-5-12-3-4-14(8)10(17)7-15-9(16)6-13(2)11(15)18;/h8,12H,3-7H2,1-2H3;1H
InChIKeyYMHYYXMKVYTACY-UHFFFAOYSA-N
MW290.75 g/mol
LogP-0.88
Rot. Bonds2

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

1-methyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride (PubChem CID 119470881) has the molecular formula C11H19ClN4O3 and a molecular weight of 290.75 g/mol. Its IUPAC name is 1-methyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name1-methyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride
PubChem CID119470881
Molecular FormulaC11H19ClN4O3
Molecular Weight290.75 g/mol
Exact Mass290.11
IUPAC Name1-methyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride
SMILESCC1CNCCN1C(=O)CN1C(=O)CN(C)C1=O.Cl
InChIInChI=1S/C11H18N4O3.ClH/c1-8-5-12-3-4-14(8)10(17)7-15-9(16)6-13(2)11(15)18;/h8,12H,3-7H2,1-2H3;1H
InChIKeyYMHYYXMKVYTACY-UHFFFAOYSA-N
XLogP-0.88
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 5-0.88
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

1-[2-[(2R)-2-methylpiperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 82705535
5-cyclopropyl-5-methyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride
CID 119470389
1-ethyl-4-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]piperazine-2,3-dione
CID 119472577
1-(2-methylpiperazin-1-yl)propan-1-one
CID 10820824
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione
CID 112779002
5-bromo-2-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 119471985
3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione
CID 66260935
3-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]-1-methylimidazolidine-2,4-dione
CID 120735391
2-ethylsulfonyl-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119472127
3,3,3-trifluoro-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119471832
2-(dimethylamino)-1-(2-methylpiperazin-1-yl)ethanone
CID 79001882
1-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 60644567

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride?
The IUPAC name of 1-methyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride (CID 119470881) is 1-methyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for 1-methyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride?
The canonical SMILES for 1-methyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride is CC1CNCCN1C(=O)CN1C(=O)CN(C)C1=O.Cl.
What is the InChIKey of 1-methyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride?
The InChIKey is YMHYYXMKVYTACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3.ClH/c1-8-5-12-3-4-14(8)10(17)7-15-9(16)6-13(2)11(15)18;/h8,12H,3-7H2,1-2H3;1H.
What are the key properties of 1-methyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride?
1-methyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride has a molecular weight of 290.75 g/mol, XLogP of -0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 119470881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).