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

C13H23ClN4O3 — CID 120571022

IUPAC1-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride
SMILESCC1NCCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1C.Cl
InChIInChI=1S/C13H22N4O3.ClH/c1-8-9(2)16(6-5-14-8)10(18)7-17-12(20)15-11(19)13(17,3)4;/h8-9,14H,5-7H2,1-4H3,(H,15,19,20);1H
InChIKeyWRRCGBKECMCIGK-UHFFFAOYSA-N
MW318.81 g/mol
LogP-0.05
Rot. Bonds2

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

1-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride (PubChem CID 120571022) has the molecular formula C13H23ClN4O3 and a molecular weight of 318.81 g/mol. Its IUPAC name is 1-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name1-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride
PubChem CID120571022
Molecular FormulaC13H23ClN4O3
Molecular Weight318.81 g/mol
Exact Mass318.15
IUPAC Name1-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride
SMILESCC1NCCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1C.Cl
InChIInChI=1S/C13H22N4O3.ClH/c1-8-9(2)16(6-5-14-8)10(18)7-17-12(20)15-11(19)13(17,3)4;/h8-9,14H,5-7H2,1-4H3,(H,15,19,20);1H
InChIKeyWRRCGBKECMCIGK-UHFFFAOYSA-N
XLogP-0.05
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride?
The IUPAC name of 1-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride (CID 120571022) is 1-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for 1-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride?
The canonical SMILES for 1-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride is CC1NCCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1C.Cl.
What is the InChIKey of 1-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride?
The InChIKey is WRRCGBKECMCIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3.ClH/c1-8-9(2)16(6-5-14-8)10(18)7-17-12(20)15-11(19)13(17,3)4;/h8-9,14H,5-7H2,1-4H3,(H,15,19,20);1H.
What are the key properties of 1-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride?
1-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride has a molecular weight of 318.81 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 120571022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).