3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione;hydrochloride

C15H27ClN4O3 — CID 120573173

IUPAC3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione;hydrochloride
SMILESCCC1(CC)NC(=O)N(CC(=O)N2CCNC(C)C2C)C1=O.Cl
InChIInChI=1S/C15H26N4O3.ClH/c1-5-15(6-2)13(21)19(14(22)17-15)9-12(20)18-8-7-16-10(3)11(18)4;/h10-11,16H,5-9H2,1-4H3,(H,17,22);1H
InChIKeyZCSQTJAMFVAKPI-UHFFFAOYSA-N
MW346.86 g/mol
LogP0.73
Rot. Bonds4

About 3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione;hydrochloride

3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione;hydrochloride (PubChem CID 120573173) has the molecular formula C15H27ClN4O3 and a molecular weight of 346.86 g/mol. Its IUPAC name is 3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione;hydrochloride
PubChem CID120573173
Molecular FormulaC15H27ClN4O3
Molecular Weight346.86 g/mol
Exact Mass346.18
IUPAC Name3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione;hydrochloride
SMILESCCC1(CC)NC(=O)N(CC(=O)N2CCNC(C)C2C)C1=O.Cl
InChIInChI=1S/C15H26N4O3.ClH/c1-5-15(6-2)13(21)19(14(22)17-15)9-12(20)18-8-7-16-10(3)11(18)4;/h10-11,16H,5-9H2,1-4H3,(H,17,22);1H
InChIKeyZCSQTJAMFVAKPI-UHFFFAOYSA-N
XLogP0.73
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 50.73
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

3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione
CID 120573174
1-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride
CID 120571022
3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 120570205
5,5-diethyl-3-[2-(5-methyl-2-propan-2-ylazepan-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 86965968
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpiperidin-3-yl)acetamide
CID 120577917
1-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-6-methylpiperidine-3-carboxylic acid
CID 122114372
3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione
CID 119375972
3-[2-[4-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione;hydrochloride
CID 119423789
2-cycloheptyl-1-(2,3-dimethylpiperazin-1-yl)ethanone;hydrochloride
CID 120572102
5,5-diethyl-3-[2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 95569598
3-(3,3-dimethyl-2-oxobutyl)-5,5-diethylimidazolidine-2,4-dione
CID 18776959
2-cycloheptyl-1-(2,3-dimethylpiperazin-1-yl)ethanone
CID 120572103

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione;hydrochloride?
The IUPAC name of 3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione;hydrochloride (CID 120573173) is 3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for 3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione;hydrochloride?
The canonical SMILES for 3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione;hydrochloride is CCC1(CC)NC(=O)N(CC(=O)N2CCNC(C)C2C)C1=O.Cl.
What is the InChIKey of 3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione;hydrochloride?
The InChIKey is ZCSQTJAMFVAKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3.ClH/c1-5-15(6-2)13(21)19(14(22)17-15)9-12(20)18-8-7-16-10(3)11(18)4;/h10-11,16H,5-9H2,1-4H3,(H,17,22);1H.
What are the key properties of 3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione;hydrochloride?
3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione;hydrochloride has a molecular weight of 346.86 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 120573173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).