(3S)-3-propan-2-ylpiperazine-2,5-dione

C7H12N2O2 — CID 736942

IUPAC(3S)-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)[C@@H]1NC(=O)CNC1=O
InChIInChI=1S/C7H12N2O2/c1-4(2)6-7(11)8-3-5(10)9-6/h4,6H,3H2,1-2H3,(H,8,11)(H,9,10)/t6-/m0/s1
InChIKeyIULFBTHVPRNQCG-LURJTMIESA-N
MW156.18 g/mol
LogP-0.74
Rot. Bonds1

About (3S)-3-propan-2-ylpiperazine-2,5-dione

(3S)-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 736942) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is (3S)-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-propan-2-ylpiperazine-2,5-dione
PubChem CID736942
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name(3S)-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)[C@@H]1NC(=O)CNC1=O
InChIInChI=1S/C7H12N2O2/c1-4(2)6-7(11)8-3-5(10)9-6/h4,6H,3H2,1-2H3,(H,8,11)(H,9,10)/t6-/m0/s1
InChIKeyIULFBTHVPRNQCG-LURJTMIESA-N
XLogP-0.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-Dimethylpiperazine-2,5-dione
CID 97704
Cyclo(glycyl-L-leucyl)
CID 927723
Cyclo(L-leucyl-L-leucyl)
CID 192731
Cyclo(leucylglycine)
CID 2902
2-Piperazinone, 3,3-dimethyl-
CID 211157
Cyclo(alanyl-leucyl)
CID 13879946
3-Isopropyl-6-methyl-2,5-dioxopiperazine
CID 139895
Cyclo(alanyl-glycyl)
CID 107297
Cyclo(alanylalanyl)
CID 165356
(3S,6S)-3,6-Diisopropylpiperazine-2,5-dione
CID 7075896
Alanine anhydride, trans-(A+-)-
CID 676438
D-Alanine anhydride
CID 676439

Frequently Asked Questions

What is the IUPAC name of (3S)-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of (3S)-3-propan-2-ylpiperazine-2,5-dione (CID 736942) is (3S)-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for (3S)-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for (3S)-3-propan-2-ylpiperazine-2,5-dione is CC(C)[C@@H]1NC(=O)CNC1=O.
What is the InChIKey of (3S)-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is IULFBTHVPRNQCG-LURJTMIESA-N. The full InChI is InChI=1S/C7H12N2O2/c1-4(2)6-7(11)8-3-5(10)9-6/h4,6H,3H2,1-2H3,(H,8,11)(H,9,10)/t6-/m0/s1.
What are the key properties of (3S)-3-propan-2-ylpiperazine-2,5-dione?
(3S)-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 156.18 g/mol, XLogP of -0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 736942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).