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

C15H26N4O3 — CID 120573174

IUPAC3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(CC(=O)N2CCNC(C)C2C)C1=O
InChIInChI=1S/C15H26N4O3/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)
InChIKeyUKDXLOSEMJUHJN-UHFFFAOYSA-N
MW310.40 g/mol
LogP0.31
Rot. Bonds4

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

3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione (PubChem CID 120573174) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione
PubChem CID120573174
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Name3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(CC(=O)N2CCNC(C)C2C)C1=O
InChIInChI=1S/C15H26N4O3/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)
InChIKeyUKDXLOSEMJUHJN-UHFFFAOYSA-N
XLogP0.31
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 50.31
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 3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione (CID 120573174) is 3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione is CCC1(CC)NC(=O)N(CC(=O)N2CCNC(C)C2C)C1=O.
What is the InChIKey of 3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione?
The InChIKey is UKDXLOSEMJUHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3/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).
What are the key properties of 3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione?
3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione has a molecular weight of 310.40 g/mol, XLogP of 0.31, 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 is sourced from PubChem (CID 120573174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).