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

C12H15N3O3 — CID 117375756

IUPAC1-[3-(2-amino-1-hydroxyethyl)phenyl]piperazine-2,5-dione
SMILESNCC(O)c1cccc(N2CC(=O)NCC2=O)c1
InChIInChI=1S/C12H15N3O3/c13-5-10(16)8-2-1-3-9(4-8)15-7-11(17)14-6-12(15)18/h1-4,10,16H,5-7,13H2,(H,14,17)
InChIKeyZYRYAPZCMFHBOR-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.86
Rot. Bonds3

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

1-[3-(2-amino-1-hydroxyethyl)phenyl]piperazine-2,5-dione (PubChem CID 117375756) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-[3-(2-amino-1-hydroxyethyl)phenyl]piperazine-2,5-dione.

Molecular Properties

Compound Name1-[3-(2-amino-1-hydroxyethyl)phenyl]piperazine-2,5-dione
PubChem CID117375756
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name1-[3-(2-amino-1-hydroxyethyl)phenyl]piperazine-2,5-dione
SMILESNCC(O)c1cccc(N2CC(=O)NCC2=O)c1
InChIInChI=1S/C12H15N3O3/c13-5-10(16)8-2-1-3-9(4-8)15-7-11(17)14-6-12(15)18/h1-4,10,16H,5-7,13H2,(H,14,17)
InChIKeyZYRYAPZCMFHBOR-UHFFFAOYSA-N
XLogP-0.86
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(1-hydroxyethyl)phenyl]piperazine-2,5-dione
CID 117340213
4-[3-(2-amino-1-hydroxyethyl)phenyl]-1-methylpiperazine-2,6-dione
CID 117412466
1-(3-aminophenyl)piperazine-2,5-dione
CID 82512416
2-[3-(2-amino-1-hydroxyethyl)phenyl]-1,2-oxazolidin-3-one
CID 117317942
1-(3-propan-2-ylphenyl)-1,4-diazepane-2,5-dione
CID 64959894
3-(2,5-dioxopiperazin-1-yl)benzoic acid
CID 82513195
1-[3-(2-amino-2-methylpropyl)phenyl]piperazine-2,5-dione
CID 117407702
1-[3-[1-(1-aminoethyl)cyclopropyl]phenyl]piperazine-2,5-dione
CID 117436048
1-(3-amino-4-methylphenyl)piperazine-2,5-dione
CID 82512730
1-[2-(1-aminopropan-2-yl)phenyl]piperazine-2,5-dione
CID 117370677
1-(4-amino-3-chlorophenyl)piperazine-2,5-dione
CID 82513383
1-(3-amino-4-fluorophenyl)piperazine-2,5-dione
CID 82512820

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-amino-1-hydroxyethyl)phenyl]piperazine-2,5-dione?
The IUPAC name of 1-[3-(2-amino-1-hydroxyethyl)phenyl]piperazine-2,5-dione (CID 117375756) is 1-[3-(2-amino-1-hydroxyethyl)phenyl]piperazine-2,5-dione.
What is the SMILES notation for 1-[3-(2-amino-1-hydroxyethyl)phenyl]piperazine-2,5-dione?
The canonical SMILES for 1-[3-(2-amino-1-hydroxyethyl)phenyl]piperazine-2,5-dione is NCC(O)c1cccc(N2CC(=O)NCC2=O)c1.
What is the InChIKey of 1-[3-(2-amino-1-hydroxyethyl)phenyl]piperazine-2,5-dione?
The InChIKey is ZYRYAPZCMFHBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c13-5-10(16)8-2-1-3-9(4-8)15-7-11(17)14-6-12(15)18/h1-4,10,16H,5-7,13H2,(H,14,17).
What are the key properties of 1-[3-(2-amino-1-hydroxyethyl)phenyl]piperazine-2,5-dione?
1-[3-(2-amino-1-hydroxyethyl)phenyl]piperazine-2,5-dione has a molecular weight of 249.27 g/mol, XLogP of -0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-amino-1-hydroxyethyl)phenyl]piperazine-2,5-dione is sourced from PubChem (CID 117375756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).