(3R)-3-benzylpiperazine-2,5-dione

C11H12N2O2 — CID 928691

IUPAC(3R)-3-benzylpiperazine-2,5-dione
SMILESO=C1CNC(=O)[C@@H](Cc2ccccc2)N1
InChIInChI=1S/C11H12N2O2/c14-10-7-12-11(15)9(13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,15)(H,13,14)/t9-/m1/s1
InChIKeyUZOJHXFWJFSFAI-SECBINFHSA-N
MW204.23 g/mol
LogP-0.16
Rot. Bonds2

About (3R)-3-benzylpiperazine-2,5-dione

(3R)-3-benzylpiperazine-2,5-dione (PubChem CID 928691) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is (3R)-3-benzylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-benzylpiperazine-2,5-dione
PubChem CID928691
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name(3R)-3-benzylpiperazine-2,5-dione
SMILESO=C1CNC(=O)[C@@H](Cc2ccccc2)N1
InChIInChI=1S/C11H12N2O2/c14-10-7-12-11(15)9(13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,15)(H,13,14)/t9-/m1/s1
InChIKeyUZOJHXFWJFSFAI-SECBINFHSA-N
XLogP-0.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[(4-iodophenyl)methyl]piperazine-2,5-dione
CID 131856025
(3S,6S,9S)-9-benzyl-6-[(4-hydroxyphenyl)methyl]-3-methyl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
CID 24853681
(3R)-3-(phenylmethoxymethyl)piperazine-2,5-dione
CID 69212263
(3S)-3-(4-phenylbutyl)piperazine-2,5-dione
CID 69365417
N-[3-[(2S,5S,8S,14R)-5,8-bis[3-[acetyl(hydroxy)amino]propyl]-14-benzyl-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-hydroxyacetamide
CID 5289136
(3S,9S,12S,13S)-9-benzyl-13-methyl-3-(2-methylpropyl)-1,4,7,10-tetrazabicyclo[10.1.0]tridecane-2,5,8,11-tetrone
CID 102293976
trans-(6S,21S)-3,6,18,21-tetrabenzyl-1,4,7,16,19,22-hexazacyclotriacontane-2,5,8,17,20,23-hexone
CID 177459513
3-[(2R,5R,14S,17S,20S,29R)-17-(4-aminobutyl)-5,14,20,29-tetrabenzyl-3,6,9,12,15,18,21,24,27,30-decaoxo-1,4,7,10,13,16,19,22,25,28-decazacyclotriacont-2-yl]propanoic acid
CID 172877913
(5S)-5-benzylpyrrolidine-2,4-dione
CID 82404721
(5S)-5-benzylimidazolidin-4-one
CID 174267947
(3S,6S,9S,12S,15S,18S,21S,24S,27S,30S,33S)-33-benzyl-21-[(2S)-butan-2-yl]-12,27-bis[(1R)-1-hydroxyethyl]-3,6,9,18,30-pentakis(hydroxymethyl)-15,24-bis[(4-hydroxyphenyl)methyl]-1,4,7,10,13,16,19,22,25,28,31,34-dodecazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone
CID 177381679
2-[3-[(2S,8R,11S)-8-benzyl-3,6,9,12,15-pentaoxo-11-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]guanidine
CID 102015235

Frequently Asked Questions

What is the IUPAC name of (3R)-3-benzylpiperazine-2,5-dione?
The IUPAC name of (3R)-3-benzylpiperazine-2,5-dione (CID 928691) is (3R)-3-benzylpiperazine-2,5-dione.
What is the SMILES notation for (3R)-3-benzylpiperazine-2,5-dione?
The canonical SMILES for (3R)-3-benzylpiperazine-2,5-dione is O=C1CNC(=O)[C@@H](Cc2ccccc2)N1.
What is the InChIKey of (3R)-3-benzylpiperazine-2,5-dione?
The InChIKey is UZOJHXFWJFSFAI-SECBINFHSA-N. The full InChI is InChI=1S/C11H12N2O2/c14-10-7-12-11(15)9(13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,15)(H,13,14)/t9-/m1/s1.
What are the key properties of (3R)-3-benzylpiperazine-2,5-dione?
(3R)-3-benzylpiperazine-2,5-dione has a molecular weight of 204.23 g/mol, XLogP of -0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-benzylpiperazine-2,5-dione is sourced from PubChem (CID 928691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).