(3S)-3-(4-hydroxyphenyl)piperazine-2,5-dione

C10H10N2O3 — CID 129497891

IUPAC(3S)-3-(4-hydroxyphenyl)piperazine-2,5-dione
SMILESO=C1CNC(=O)[C@H](c2ccc(O)cc2)N1
InChIInChI=1S/C10H10N2O3/c13-7-3-1-6(2-4-7)9-10(15)11-5-8(14)12-9/h1-4,9,13H,5H2,(H,11,15)(H,12,14)/t9-/m0/s1
InChIKeyCCGVZSDXRZQDAT-VIFPVBQESA-N
MW206.20 g/mol
LogP-0.32
Rot. Bonds1

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

(3S)-3-(4-hydroxyphenyl)piperazine-2,5-dione (PubChem CID 129497891) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is (3S)-3-(4-hydroxyphenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-(4-hydroxyphenyl)piperazine-2,5-dione
PubChem CID129497891
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name(3S)-3-(4-hydroxyphenyl)piperazine-2,5-dione
SMILESO=C1CNC(=O)[C@H](c2ccc(O)cc2)N1
InChIInChI=1S/C10H10N2O3/c13-7-3-1-6(2-4-7)9-10(15)11-5-8(14)12-9/h1-4,9,13H,5H2,(H,11,15)(H,12,14)/t9-/m0/s1
InChIKeyCCGVZSDXRZQDAT-VIFPVBQESA-N
XLogP-0.32
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(3-hydroxyphenyl)piperazine-2,5-dione
CID 129499079
5-(4-hydroxyphenyl)imidazolidine-2,4-dione
CID 159859205
(3S)-3-(4-hydroxyphenyl)-1-methylpiperazine-2,5-dione
CID 129497711
(4R)-4-(4-hydroxyphenyl)imidazolidin-2-one
CID 130739851
(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
(3S,6S,9S)-9-benzyl-6-[(4-hydroxyphenyl)methyl]-3-methyl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
CID 24853681
azane;aziridin-2-one;4-methylphenol
CID 88801841
3-chloro-4-(4-hydroxyphenyl)azetidin-2-one
CID 72988124
(3S)-3-(4-hydroxyphenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 129404884
6-(4-hydroxyphenyl)piperidine-2,4-dione
CID 83819813
3-(4-hydroxyphenyl)-4-methylazetidin-2-one
CID 141021087

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-hydroxyphenyl)piperazine-2,5-dione?
The IUPAC name of (3S)-3-(4-hydroxyphenyl)piperazine-2,5-dione (CID 129497891) is (3S)-3-(4-hydroxyphenyl)piperazine-2,5-dione.
What is the SMILES notation for (3S)-3-(4-hydroxyphenyl)piperazine-2,5-dione?
The canonical SMILES for (3S)-3-(4-hydroxyphenyl)piperazine-2,5-dione is O=C1CNC(=O)[C@H](c2ccc(O)cc2)N1.
What is the InChIKey of (3S)-3-(4-hydroxyphenyl)piperazine-2,5-dione?
The InChIKey is CCGVZSDXRZQDAT-VIFPVBQESA-N. The full InChI is InChI=1S/C10H10N2O3/c13-7-3-1-6(2-4-7)9-10(15)11-5-8(14)12-9/h1-4,9,13H,5H2,(H,11,15)(H,12,14)/t9-/m0/s1.
What are the key properties of (3S)-3-(4-hydroxyphenyl)piperazine-2,5-dione?
(3S)-3-(4-hydroxyphenyl)piperazine-2,5-dione has a molecular weight of 206.20 g/mol, XLogP of -0.32, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-hydroxyphenyl)piperazine-2,5-dione is sourced from PubChem (CID 129497891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).