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

C14H16N2O4 — CID 66061914

IUPAC4-[3-(2-hydroxyphenyl)propanoyl]-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)CCc1ccccc1O
InChIInChI=1S/C14H16N2O4/c1-9-14(20)15-12(18)8-16(9)13(19)7-6-10-4-2-3-5-11(10)17/h2-5,9,17H,6-8H2,1H3,(H,15,18,20)
InChIKeyDNYJUOHFPVBIRW-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.20
Rot. Bonds3

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

4-[3-(2-hydroxyphenyl)propanoyl]-3-methylpiperazine-2,6-dione (PubChem CID 66061914) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 4-[3-(2-hydroxyphenyl)propanoyl]-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[3-(2-hydroxyphenyl)propanoyl]-3-methylpiperazine-2,6-dione
PubChem CID66061914
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name4-[3-(2-hydroxyphenyl)propanoyl]-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)CCc1ccccc1O
InChIInChI=1S/C14H16N2O4/c1-9-14(20)15-12(18)8-16(9)13(19)7-6-10-4-2-3-5-11(10)17/h2-5,9,17H,6-8H2,1H3,(H,15,18,20)
InChIKeyDNYJUOHFPVBIRW-UHFFFAOYSA-N
XLogP0.20
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.20
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

3-ethyl-4-[3-(2-hydroxyphenyl)propanoyl]piperazine-2,6-dione
CID 66069081
3-methyl-4-[3-(3-methylphenyl)propanoyl]piperazine-2,6-dione
CID 66062306
4-[3-(2-aminophenyl)propanoyl]-3-ethylpiperazine-2,6-dione
CID 66067254
3-methyl-4-propanoylpiperazine-2,6-dione
CID 66061335
3-methyl-4-[2-(2-methylphenoxy)acetyl]piperazine-2,6-dione
CID 66061538
3-methyl-4-(2-methylsulfanylacetyl)piperazine-2,6-dione
CID 66063866
3-methyl-4-[2-[2-(methylamino)ethyl]benzoyl]piperazine-2,6-dione
CID 104548056
4-[3-(4-chlorophenyl)sulfanylpropanoyl]-3-methylpiperazine-2,6-dione
CID 66063090
4-[3-(3-bromophenoxy)propanoyl]-3-methylpiperazine-2,6-dione
CID 66061582
3-methyl-4-[2-(4-methylphenoxy)acetyl]piperazine-2,6-dione
CID 66063520
4-[2-(4-methoxyphenoxy)acetyl]-3-methylpiperazine-2,6-dione
CID 66060981
4-(2-tert-butylsulfanylacetyl)-3-methylpiperazine-2,6-dione
CID 66063693

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-hydroxyphenyl)propanoyl]-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-[3-(2-hydroxyphenyl)propanoyl]-3-methylpiperazine-2,6-dione (CID 66061914) is 4-[3-(2-hydroxyphenyl)propanoyl]-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-[3-(2-hydroxyphenyl)propanoyl]-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-[3-(2-hydroxyphenyl)propanoyl]-3-methylpiperazine-2,6-dione is CC1C(=O)NC(=O)CN1C(=O)CCc1ccccc1O.
What is the InChIKey of 4-[3-(2-hydroxyphenyl)propanoyl]-3-methylpiperazine-2,6-dione?
The InChIKey is DNYJUOHFPVBIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-9-14(20)15-12(18)8-16(9)13(19)7-6-10-4-2-3-5-11(10)17/h2-5,9,17H,6-8H2,1H3,(H,15,18,20).
What are the key properties of 4-[3-(2-hydroxyphenyl)propanoyl]-3-methylpiperazine-2,6-dione?
4-[3-(2-hydroxyphenyl)propanoyl]-3-methylpiperazine-2,6-dione has a molecular weight of 276.29 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-hydroxyphenyl)propanoyl]-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 66061914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).