(3S)-1-ethyl-3-(4-hydroxyphenyl)piperazine-2,5-dione

C12H14N2O3 — CID 129498685

IUPAC(3S)-1-ethyl-3-(4-hydroxyphenyl)piperazine-2,5-dione
SMILESCCN1CC(=O)N[C@@H](c2ccc(O)cc2)C1=O
InChIInChI=1S/C12H14N2O3/c1-2-14-7-10(16)13-11(12(14)17)8-3-5-9(15)6-4-8/h3-6,11,15H,2,7H2,1H3,(H,13,16)/t11-/m0/s1
InChIKeyGKFLRHXHQVMUDH-NSHDSACASA-N
MW234.25 g/mol
LogP0.41
Rot. Bonds2

About (3S)-1-ethyl-3-(4-hydroxyphenyl)piperazine-2,5-dione

(3S)-1-ethyl-3-(4-hydroxyphenyl)piperazine-2,5-dione (PubChem CID 129498685) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is (3S)-1-ethyl-3-(4-hydroxyphenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-ethyl-3-(4-hydroxyphenyl)piperazine-2,5-dione
PubChem CID129498685
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name(3S)-1-ethyl-3-(4-hydroxyphenyl)piperazine-2,5-dione
SMILESCCN1CC(=O)N[C@@H](c2ccc(O)cc2)C1=O
InChIInChI=1S/C12H14N2O3/c1-2-14-7-10(16)13-11(12(14)17)8-3-5-9(15)6-4-8/h3-6,11,15H,2,7H2,1H3,(H,13,16)/t11-/m0/s1
InChIKeyGKFLRHXHQVMUDH-NSHDSACASA-N
XLogP0.41
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 ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(4-hydroxyphenyl)-1-methylpiperazine-2,5-dione
CID 129497711
(3S)-3-(4-hydroxyphenyl)-1-propan-2-ylpiperazine-2,5-dione
CID 129498052
1-[(E)-but-2-enyl]-3-phenylpiperazine-2,5-dione
CID 107898417
3-phenyl-1-prop-2-ynylpiperazine-2,5-dione
CID 64963692
2-(4-hydroxyphenyl)-1-methylimidazolidin-4-one
CID 174408760
1-(2-ethoxyethyl)-3-phenylpiperazine-2,5-dione
CID 64878640
1-benzyl-3-phenylpiperazine-2,5-dione
CID 20794522
3-(4-fluorophenyl)-1-methylpiperazine-2,5-dione
CID 45496525
1-[(5-methyloxolan-2-yl)methyl]-3-phenylpiperazine-2,5-dione
CID 103142004
1-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpiperazine-2,5-dione
CID 64963539
(3S)-3-(4-hydroxyphenyl)piperazine-2,5-dione
CID 129497891
1-pentan-3-yl-3-phenylpiperazine-2,5-dione
CID 64958214

Frequently Asked Questions

What is the IUPAC name of (3S)-1-ethyl-3-(4-hydroxyphenyl)piperazine-2,5-dione?
The IUPAC name of (3S)-1-ethyl-3-(4-hydroxyphenyl)piperazine-2,5-dione (CID 129498685) is (3S)-1-ethyl-3-(4-hydroxyphenyl)piperazine-2,5-dione.
What is the SMILES notation for (3S)-1-ethyl-3-(4-hydroxyphenyl)piperazine-2,5-dione?
The canonical SMILES for (3S)-1-ethyl-3-(4-hydroxyphenyl)piperazine-2,5-dione is CCN1CC(=O)N[C@@H](c2ccc(O)cc2)C1=O.
What is the InChIKey of (3S)-1-ethyl-3-(4-hydroxyphenyl)piperazine-2,5-dione?
The InChIKey is GKFLRHXHQVMUDH-NSHDSACASA-N. The full InChI is InChI=1S/C12H14N2O3/c1-2-14-7-10(16)13-11(12(14)17)8-3-5-9(15)6-4-8/h3-6,11,15H,2,7H2,1H3,(H,13,16)/t11-/m0/s1.
What are the key properties of (3S)-1-ethyl-3-(4-hydroxyphenyl)piperazine-2,5-dione?
(3S)-1-ethyl-3-(4-hydroxyphenyl)piperazine-2,5-dione has a molecular weight of 234.25 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-ethyl-3-(4-hydroxyphenyl)piperazine-2,5-dione is sourced from PubChem (CID 129498685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).