(3S)-3-(4-hydroxyphenyl)-1-methylpiperazine-2,5-dione

C11H12N2O3 — CID 129497711

IUPAC(3S)-3-(4-hydroxyphenyl)-1-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N[C@@H](c2ccc(O)cc2)C1=O
InChIInChI=1S/C11H12N2O3/c1-13-6-9(15)12-10(11(13)16)7-2-4-8(14)5-3-7/h2-5,10,14H,6H2,1H3,(H,12,15)/t10-/m0/s1
InChIKeyBVWMYSUAOJXKBK-JTQLQIEISA-N
MW220.23 g/mol
LogP0.02
Rot. Bonds1

About (3S)-3-(4-hydroxyphenyl)-1-methylpiperazine-2,5-dione

(3S)-3-(4-hydroxyphenyl)-1-methylpiperazine-2,5-dione (PubChem CID 129497711) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is (3S)-3-(4-hydroxyphenyl)-1-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-(4-hydroxyphenyl)-1-methylpiperazine-2,5-dione
PubChem CID129497711
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name(3S)-3-(4-hydroxyphenyl)-1-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N[C@@H](c2ccc(O)cc2)C1=O
InChIInChI=1S/C11H12N2O3/c1-13-6-9(15)12-10(11(13)16)7-2-4-8(14)5-3-7/h2-5,10,14H,6H2,1H3,(H,12,15)/t10-/m0/s1
InChIKeyBVWMYSUAOJXKBK-JTQLQIEISA-N
XLogP0.02
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-1-methylpiperazine-2,5-dione
CID 45496525
(3S)-1-ethyl-3-(4-hydroxyphenyl)piperazine-2,5-dione
CID 129498685
(3S)-3-(4-hydroxyphenyl)-1-propan-2-ylpiperazine-2,5-dione
CID 129498052
2-(4-hydroxyphenyl)-1-methylimidazolidin-4-one
CID 174408760
(3R)-1-methyl-3-(2-methylphenyl)piperazine-2,5-dione
CID 51893600
(3R)-1-methyl-3-naphthalen-1-ylpiperazine-2,5-dione
CID 51893578
(4R)-4-(4-hydroxyphenyl)-1,6-dimethyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 1414937
(3S)-3-(4-hydroxyphenyl)piperazine-2,5-dione
CID 129497891
3-(4-hydroxyphenyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 162864462
5-(4-hydroxyphenyl)-1-methylimidazolidine-2,4-dione
CID 82112832
5-(4-hydroxyphenyl)imidazolidine-2,4-dione
CID 159859205
3-ethyl-1-methylpiperazine-2,5-dione
CID 64880969

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-hydroxyphenyl)-1-methylpiperazine-2,5-dione?
The IUPAC name of (3S)-3-(4-hydroxyphenyl)-1-methylpiperazine-2,5-dione (CID 129497711) is (3S)-3-(4-hydroxyphenyl)-1-methylpiperazine-2,5-dione.
What is the SMILES notation for (3S)-3-(4-hydroxyphenyl)-1-methylpiperazine-2,5-dione?
The canonical SMILES for (3S)-3-(4-hydroxyphenyl)-1-methylpiperazine-2,5-dione is CN1CC(=O)N[C@@H](c2ccc(O)cc2)C1=O.
What is the InChIKey of (3S)-3-(4-hydroxyphenyl)-1-methylpiperazine-2,5-dione?
The InChIKey is BVWMYSUAOJXKBK-JTQLQIEISA-N. The full InChI is InChI=1S/C11H12N2O3/c1-13-6-9(15)12-10(11(13)16)7-2-4-8(14)5-3-7/h2-5,10,14H,6H2,1H3,(H,12,15)/t10-/m0/s1.
What are the key properties of (3S)-3-(4-hydroxyphenyl)-1-methylpiperazine-2,5-dione?
(3S)-3-(4-hydroxyphenyl)-1-methylpiperazine-2,5-dione has a molecular weight of 220.23 g/mol, XLogP of 0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-hydroxyphenyl)-1-methylpiperazine-2,5-dione is sourced from PubChem (CID 129497711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).