5-cyclopropyl-5-methyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride

C14H23ClN4O3 — CID 119470389

IUPAC5-cyclopropyl-5-methyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride
SMILESCC1CNCCN1C(=O)CN1C(=O)NC(C)(C2CC2)C1=O.Cl
InChIInChI=1S/C14H22N4O3.ClH/c1-9-7-15-5-6-17(9)11(19)8-18-12(20)14(2,10-3-4-10)16-13(18)21;/h9-10,15H,3-8H2,1-2H3,(H,16,21);1H
InChIKeyRDUIJNLBJVOKRV-UHFFFAOYSA-N
MW330.82 g/mol
LogP-0.05
Rot. Bonds3

About 5-cyclopropyl-5-methyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride

5-cyclopropyl-5-methyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride (PubChem CID 119470389) has the molecular formula C14H23ClN4O3 and a molecular weight of 330.82 g/mol. Its IUPAC name is 5-cyclopropyl-5-methyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name5-cyclopropyl-5-methyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride
PubChem CID119470389
Molecular FormulaC14H23ClN4O3
Molecular Weight330.82 g/mol
Exact Mass330.15
IUPAC Name5-cyclopropyl-5-methyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride
SMILESCC1CNCCN1C(=O)CN1C(=O)NC(C)(C2CC2)C1=O.Cl
InChIInChI=1S/C14H22N4O3.ClH/c1-9-7-15-5-6-17(9)11(19)8-18-12(20)14(2,10-3-4-10)16-13(18)21;/h9-10,15H,3-8H2,1-2H3,(H,16,21);1H
InChIKeyRDUIJNLBJVOKRV-UHFFFAOYSA-N
XLogP-0.05
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-piperidin-3-ylacetamide;hydrochloride
CID 119424782
5-cyclopropyl-5-methyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride
CID 119649000
1-methyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride
CID 119470881
5-cyclopropyl-5-methyl-3-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 56809766
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119530186
3-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 119434841
(3R)-1-[2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 125134505
N-(2-amino-2-methylpropyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride
CID 119626308
5-cyclopropyl-3-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione;hydrochloride
CID 119644656
1-ethyl-4-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]piperazine-2,3-dione
CID 119472577
(5S)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 94117584
5-cyclopropyl-5-methyl-3-[2-oxo-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 56797913

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-5-methyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride?
The IUPAC name of 5-cyclopropyl-5-methyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride (CID 119470389) is 5-cyclopropyl-5-methyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for 5-cyclopropyl-5-methyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride?
The canonical SMILES for 5-cyclopropyl-5-methyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride is CC1CNCCN1C(=O)CN1C(=O)NC(C)(C2CC2)C1=O.Cl.
What is the InChIKey of 5-cyclopropyl-5-methyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride?
The InChIKey is RDUIJNLBJVOKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3.ClH/c1-9-7-15-5-6-17(9)11(19)8-18-12(20)14(2,10-3-4-10)16-13(18)21;/h9-10,15H,3-8H2,1-2H3,(H,16,21);1H.
What are the key properties of 5-cyclopropyl-5-methyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride?
5-cyclopropyl-5-methyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride has a molecular weight of 330.82 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-5-methyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 119470389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).