3-ethyl-4-[3-(2-hydroxyphenyl)propanoyl]piperazine-2,6-dione

C15H18N2O4 — CID 66069081

IUPAC3-ethyl-4-[3-(2-hydroxyphenyl)propanoyl]piperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)CCc1ccccc1O
InChIInChI=1S/C15H18N2O4/c1-2-11-15(21)16-13(19)9-17(11)14(20)8-7-10-5-3-4-6-12(10)18/h3-6,11,18H,2,7-9H2,1H3,(H,16,19,21)
InChIKeyBNVUHZSBHJWAQM-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.59
Rot. Bonds4

About 3-ethyl-4-[3-(2-hydroxyphenyl)propanoyl]piperazine-2,6-dione

3-ethyl-4-[3-(2-hydroxyphenyl)propanoyl]piperazine-2,6-dione (PubChem CID 66069081) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-ethyl-4-[3-(2-hydroxyphenyl)propanoyl]piperazine-2,6-dione.

Molecular Properties

Compound Name3-ethyl-4-[3-(2-hydroxyphenyl)propanoyl]piperazine-2,6-dione
PubChem CID66069081
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name3-ethyl-4-[3-(2-hydroxyphenyl)propanoyl]piperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)CCc1ccccc1O
InChIInChI=1S/C15H18N2O4/c1-2-11-15(21)16-13(19)9-17(11)14(20)8-7-10-5-3-4-6-12(10)18/h3-6,11,18H,2,7-9H2,1H3,(H,16,19,21)
InChIKeyBNVUHZSBHJWAQM-UHFFFAOYSA-N
XLogP0.59
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(2-aminophenyl)propanoyl]-3-ethylpiperazine-2,6-dione
CID 66067254
4-[3-(2-hydroxyphenyl)propanoyl]-3-methylpiperazine-2,6-dione
CID 66061914
4-(2-ethyl-3,5-dioxopiperazin-1-yl)-4-oxobutanoic acid
CID 66067143
4-(2-benzylsulfanylacetyl)-3-ethylpiperazine-2,6-dione
CID 66068319
4-(2-chloroacetyl)-3-ethylpiperazine-2,6-dione
CID 66068113
4-(2-aminoacetyl)-3-ethylpiperazine-2,6-dione
CID 66069530
4-[2-(4-bromophenyl)acetyl]-3-ethylpiperazine-2,6-dione
CID 66067758
3-ethyl-4-(3-piperidin-2-ylpropanoyl)piperazine-2,6-dione
CID 66068190
4-[2-(3-aminophenyl)acetyl]-3-ethylpiperazine-2,6-dione
CID 66067315
3-(2-ethyl-3,5-dioxopiperazin-1-yl)-3-oxopropanethioamide
CID 66069349
4-(2,3-dihydro-1H-indene-2-carbonyl)-3-ethylpiperazine-2,6-dione
CID 106893244
4-(2-amino-2-phenylacetyl)-3-ethylpiperazine-2,6-dione
CID 66069529

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[3-(2-hydroxyphenyl)propanoyl]piperazine-2,6-dione?
The IUPAC name of 3-ethyl-4-[3-(2-hydroxyphenyl)propanoyl]piperazine-2,6-dione (CID 66069081) is 3-ethyl-4-[3-(2-hydroxyphenyl)propanoyl]piperazine-2,6-dione.
What is the SMILES notation for 3-ethyl-4-[3-(2-hydroxyphenyl)propanoyl]piperazine-2,6-dione?
The canonical SMILES for 3-ethyl-4-[3-(2-hydroxyphenyl)propanoyl]piperazine-2,6-dione is CCC1C(=O)NC(=O)CN1C(=O)CCc1ccccc1O.
What is the InChIKey of 3-ethyl-4-[3-(2-hydroxyphenyl)propanoyl]piperazine-2,6-dione?
The InChIKey is BNVUHZSBHJWAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-2-11-15(21)16-13(19)9-17(11)14(20)8-7-10-5-3-4-6-12(10)18/h3-6,11,18H,2,7-9H2,1H3,(H,16,19,21).
What are the key properties of 3-ethyl-4-[3-(2-hydroxyphenyl)propanoyl]piperazine-2,6-dione?
3-ethyl-4-[3-(2-hydroxyphenyl)propanoyl]piperazine-2,6-dione has a molecular weight of 290.32 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[3-(2-hydroxyphenyl)propanoyl]piperazine-2,6-dione is sourced from PubChem (CID 66069081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).