(5S)-1,5-dimethylpiperazin-2-one

C6H12N2O — CID 44630614

IUPAC(5S)-1,5-dimethylpiperazin-2-one
SMILESC[C@H]1CN(C)C(=O)CN1
InChIInChI=1S/C6H12N2O/c1-5-4-8(2)6(9)3-7-5/h5,7H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyTUXCFTFFNGQODI-YFKPBYRVSA-N
MW128.17 g/mol
LogP-0.56
Rot. Bonds

About (5S)-1,5-dimethylpiperazin-2-one

(5S)-1,5-dimethylpiperazin-2-one (PubChem CID 44630614) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is (5S)-1,5-dimethylpiperazin-2-one.

Molecular Properties

Compound Name(5S)-1,5-dimethylpiperazin-2-one
PubChem CID44630614
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name(5S)-1,5-dimethylpiperazin-2-one
SMILESC[C@H]1CN(C)C(=O)CN1
InChIInChI=1S/C6H12N2O/c1-5-4-8(2)6(9)3-7-5/h5,7H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyTUXCFTFFNGQODI-YFKPBYRVSA-N
XLogP-0.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-Dimethylpiperazine-2,5-dione
CID 97704
1-Acetylpiperazine
CID 83795
1-Ethyl-2,3-piperazinedione
CID 108812
2-Piperazinone, 3,3-dimethyl-
CID 211157
Piperazin-2-one
CID 231360
Cyclo(alanyl-glycyl)
CID 107297
Cyclo(alanylalanyl)
CID 165356
N-isopropyl-1-piperazineacetamide
CID 100826
L-Alanylglycinamide
CID 7019037
2-((1-Hydroxyethylidene)amino)-N-methylpropanimidic acid
CID 141892
Alanine anhydride, trans-(A+-)-
CID 676438
D-Alanine anhydride
CID 676439

Frequently Asked Questions

What is the IUPAC name of (5S)-1,5-dimethylpiperazin-2-one?
The IUPAC name of (5S)-1,5-dimethylpiperazin-2-one (CID 44630614) is (5S)-1,5-dimethylpiperazin-2-one.
What is the SMILES notation for (5S)-1,5-dimethylpiperazin-2-one?
The canonical SMILES for (5S)-1,5-dimethylpiperazin-2-one is C[C@H]1CN(C)C(=O)CN1.
What is the InChIKey of (5S)-1,5-dimethylpiperazin-2-one?
The InChIKey is TUXCFTFFNGQODI-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12N2O/c1-5-4-8(2)6(9)3-7-5/h5,7H,3-4H2,1-2H3/t5-/m0/s1.
What are the key properties of (5S)-1,5-dimethylpiperazin-2-one?
(5S)-1,5-dimethylpiperazin-2-one has a molecular weight of 128.17 g/mol, XLogP of -0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1,5-dimethylpiperazin-2-one is sourced from PubChem (CID 44630614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).