3-[(4-hydroxyphenyl)methyl]-6-methylpiperazine-2,5-dione

C12H14N2O3 — CID 571964

IUPAC3-[(4-hydroxyphenyl)methyl]-6-methylpiperazine-2,5-dione
SMILESCC1NC(=O)C(Cc2ccc(O)cc2)NC1=O
InChIInChI=1S/C12H14N2O3/c1-7-11(16)14-10(12(17)13-7)6-8-2-4-9(15)5-3-8/h2-5,7,10,15H,6H2,1H3,(H,13,17)(H,14,16)
InChIKeyMFUNIDMQFPXVGU-UHFFFAOYSA-N
MW234.25 g/mol
LogP-0.06
Rot. Bonds2

About 3-[(4-hydroxyphenyl)methyl]-6-methylpiperazine-2,5-dione

3-[(4-hydroxyphenyl)methyl]-6-methylpiperazine-2,5-dione (PubChem CID 571964) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-[(4-hydroxyphenyl)methyl]-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-[(4-hydroxyphenyl)methyl]-6-methylpiperazine-2,5-dione
PubChem CID571964
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name3-[(4-hydroxyphenyl)methyl]-6-methylpiperazine-2,5-dione
SMILESCC1NC(=O)C(Cc2ccc(O)cc2)NC1=O
InChIInChI=1S/C12H14N2O3/c1-7-11(16)14-10(12(17)13-7)6-8-2-4-9(15)5-3-8/h2-5,7,10,15H,6H2,1H3,(H,13,17)(H,14,16)
InChIKeyMFUNIDMQFPXVGU-UHFFFAOYSA-N
XLogP-0.06
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxyphenyl)methyl]-6-methylpiperazine-2,5-dione?
The IUPAC name of 3-[(4-hydroxyphenyl)methyl]-6-methylpiperazine-2,5-dione (CID 571964) is 3-[(4-hydroxyphenyl)methyl]-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 3-[(4-hydroxyphenyl)methyl]-6-methylpiperazine-2,5-dione?
The canonical SMILES for 3-[(4-hydroxyphenyl)methyl]-6-methylpiperazine-2,5-dione is CC1NC(=O)C(Cc2ccc(O)cc2)NC1=O.
What is the InChIKey of 3-[(4-hydroxyphenyl)methyl]-6-methylpiperazine-2,5-dione?
The InChIKey is MFUNIDMQFPXVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-7-11(16)14-10(12(17)13-7)6-8-2-4-9(15)5-3-8/h2-5,7,10,15H,6H2,1H3,(H,13,17)(H,14,16).
What are the key properties of 3-[(4-hydroxyphenyl)methyl]-6-methylpiperazine-2,5-dione?
3-[(4-hydroxyphenyl)methyl]-6-methylpiperazine-2,5-dione has a molecular weight of 234.25 g/mol, XLogP of -0.06, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxyphenyl)methyl]-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 571964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).