1-[3-(1-hydroxyethyl)phenyl]piperazine-2,5-dione

C12H14N2O3 — CID 117340213

IUPAC1-[3-(1-hydroxyethyl)phenyl]piperazine-2,5-dione
SMILESCC(O)c1cccc(N2CC(=O)NCC2=O)c1
InChIInChI=1S/C12H14N2O3/c1-8(15)9-3-2-4-10(5-9)14-7-11(16)13-6-12(14)17/h2-5,8,15H,6-7H2,1H3,(H,13,16)
InChIKeyTUFGSFYDUXXNCB-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.20
Rot. Bonds2

About 1-[3-(1-hydroxyethyl)phenyl]piperazine-2,5-dione

1-[3-(1-hydroxyethyl)phenyl]piperazine-2,5-dione (PubChem CID 117340213) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 1-[3-(1-hydroxyethyl)phenyl]piperazine-2,5-dione.

Molecular Properties

Compound Name1-[3-(1-hydroxyethyl)phenyl]piperazine-2,5-dione
PubChem CID117340213
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name1-[3-(1-hydroxyethyl)phenyl]piperazine-2,5-dione
SMILESCC(O)c1cccc(N2CC(=O)NCC2=O)c1
InChIInChI=1S/C12H14N2O3/c1-8(15)9-3-2-4-10(5-9)14-7-11(16)13-6-12(14)17/h2-5,8,15H,6-7H2,1H3,(H,13,16)
InChIKeyTUFGSFYDUXXNCB-UHFFFAOYSA-N
XLogP0.20
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-hydroxyethyl)phenyl]piperazine-2,5-dione?
The IUPAC name of 1-[3-(1-hydroxyethyl)phenyl]piperazine-2,5-dione (CID 117340213) is 1-[3-(1-hydroxyethyl)phenyl]piperazine-2,5-dione.
What is the SMILES notation for 1-[3-(1-hydroxyethyl)phenyl]piperazine-2,5-dione?
The canonical SMILES for 1-[3-(1-hydroxyethyl)phenyl]piperazine-2,5-dione is CC(O)c1cccc(N2CC(=O)NCC2=O)c1.
What is the InChIKey of 1-[3-(1-hydroxyethyl)phenyl]piperazine-2,5-dione?
The InChIKey is TUFGSFYDUXXNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-8(15)9-3-2-4-10(5-9)14-7-11(16)13-6-12(14)17/h2-5,8,15H,6-7H2,1H3,(H,13,16).
What are the key properties of 1-[3-(1-hydroxyethyl)phenyl]piperazine-2,5-dione?
1-[3-(1-hydroxyethyl)phenyl]piperazine-2,5-dione has a molecular weight of 234.25 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-hydroxyethyl)phenyl]piperazine-2,5-dione is sourced from PubChem (CID 117340213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).