1-[4-(2-hydroxypropyl)phenyl]piperazine-2,3-dione

C13H16N2O3 — CID 117373466

IUPAC1-[4-(2-hydroxypropyl)phenyl]piperazine-2,3-dione
SMILESCC(O)Cc1ccc(N2CCNC(=O)C2=O)cc1
InChIInChI=1S/C13H16N2O3/c1-9(16)8-10-2-4-11(5-3-10)15-7-6-14-12(17)13(15)18/h2-5,9,16H,6-8H2,1H3,(H,14,17)
InChIKeyCLGZVOZXKSAZIK-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.07
Rot. Bonds3

About 1-[4-(2-hydroxypropyl)phenyl]piperazine-2,3-dione

1-[4-(2-hydroxypropyl)phenyl]piperazine-2,3-dione (PubChem CID 117373466) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-[4-(2-hydroxypropyl)phenyl]piperazine-2,3-dione.

Molecular Properties

Compound Name1-[4-(2-hydroxypropyl)phenyl]piperazine-2,3-dione
PubChem CID117373466
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name1-[4-(2-hydroxypropyl)phenyl]piperazine-2,3-dione
SMILESCC(O)Cc1ccc(N2CCNC(=O)C2=O)cc1
InChIInChI=1S/C13H16N2O3/c1-9(16)8-10-2-4-11(5-3-10)15-7-6-14-12(17)13(15)18/h2-5,9,16H,6-8H2,1H3,(H,14,17)
InChIKeyCLGZVOZXKSAZIK-UHFFFAOYSA-N
XLogP0.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(methoxyamino)methyl]phenyl]piperazine-2,3-dione
CID 117375750
1-[4-(piperidin-3-ylmethyl)phenyl]piperazine-2,3-dione
CID 117463834
1-[3-(4-aminobutan-2-yl)phenyl]piperazine-2,3-dione
CID 117407640
1-(4-pyrazol-1-ylphenyl)propan-2-ol
CID 83675061
methyl 2-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]pentanoate
CID 70073360
1-[3-(2-hydroxypropyl)phenyl]piperazin-2-one
CID 117340740
2-[4-(2-oxoimidazolidin-1-yl)phenyl]propanoic acid
CID 23154771
1-[4-(1-isocyanatocyclopentyl)phenyl]piperazine-2,3-dione
CID 117482192
N-[2,3-bis(4-chlorophenyl)butyl]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 69145531
N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 56705120
methane;1-(4-methylphenyl)imidazolidin-2-one
CID 143511114
N-cyclopropyl-4-(2-oxoimidazolidin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 51299403

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxypropyl)phenyl]piperazine-2,3-dione?
The IUPAC name of 1-[4-(2-hydroxypropyl)phenyl]piperazine-2,3-dione (CID 117373466) is 1-[4-(2-hydroxypropyl)phenyl]piperazine-2,3-dione.
What is the SMILES notation for 1-[4-(2-hydroxypropyl)phenyl]piperazine-2,3-dione?
The canonical SMILES for 1-[4-(2-hydroxypropyl)phenyl]piperazine-2,3-dione is CC(O)Cc1ccc(N2CCNC(=O)C2=O)cc1.
What is the InChIKey of 1-[4-(2-hydroxypropyl)phenyl]piperazine-2,3-dione?
The InChIKey is CLGZVOZXKSAZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9(16)8-10-2-4-11(5-3-10)15-7-6-14-12(17)13(15)18/h2-5,9,16H,6-8H2,1H3,(H,14,17).
What are the key properties of 1-[4-(2-hydroxypropyl)phenyl]piperazine-2,3-dione?
1-[4-(2-hydroxypropyl)phenyl]piperazine-2,3-dione has a molecular weight of 248.28 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxypropyl)phenyl]piperazine-2,3-dione is sourced from PubChem (CID 117373466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).