3-(2-hydroxyethyl)-1,4-dimethylpiperazine-2,5-dione

C8H14N2O3 — CID 13093448

IUPAC3-(2-hydroxyethyl)-1,4-dimethylpiperazine-2,5-dione
SMILESCN1CC(=O)N(C)C(CCO)C1=O
InChIInChI=1S/C8H14N2O3/c1-9-5-7(12)10(2)6(3-4-11)8(9)13/h6,11H,3-5H2,1-2H3
InChIKeyMHRGFGAHMGDAPC-UHFFFAOYSA-N
MW186.21 g/mol
LogP-1.33
Rot. Bonds2

About 3-(2-hydroxyethyl)-1,4-dimethylpiperazine-2,5-dione

3-(2-hydroxyethyl)-1,4-dimethylpiperazine-2,5-dione (PubChem CID 13093448) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-1,4-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-1,4-dimethylpiperazine-2,5-dione
PubChem CID13093448
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name3-(2-hydroxyethyl)-1,4-dimethylpiperazine-2,5-dione
SMILESCN1CC(=O)N(C)C(CCO)C1=O
InChIInChI=1S/C8H14N2O3/c1-9-5-7(12)10(2)6(3-4-11)8(9)13/h6,11H,3-5H2,1-2H3
InChIKeyMHRGFGAHMGDAPC-UHFFFAOYSA-N
XLogP-1.33
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-1.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-1,4-dimethylpiperazine-2,5-dione?
The IUPAC name of 3-(2-hydroxyethyl)-1,4-dimethylpiperazine-2,5-dione (CID 13093448) is 3-(2-hydroxyethyl)-1,4-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 3-(2-hydroxyethyl)-1,4-dimethylpiperazine-2,5-dione?
The canonical SMILES for 3-(2-hydroxyethyl)-1,4-dimethylpiperazine-2,5-dione is CN1CC(=O)N(C)C(CCO)C1=O.
What is the InChIKey of 3-(2-hydroxyethyl)-1,4-dimethylpiperazine-2,5-dione?
The InChIKey is MHRGFGAHMGDAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-9-5-7(12)10(2)6(3-4-11)8(9)13/h6,11H,3-5H2,1-2H3.
What are the key properties of 3-(2-hydroxyethyl)-1,4-dimethylpiperazine-2,5-dione?
3-(2-hydroxyethyl)-1,4-dimethylpiperazine-2,5-dione has a molecular weight of 186.21 g/mol, XLogP of -1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-1,4-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 13093448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).