6-methylpiperazin-2-one

C5H10N2O — CID 13190463

IUPAC6-methylpiperazin-2-one
SMILESCC1CNCC(=O)N1
InChIInChI=1S/C5H10N2O/c1-4-2-6-3-5(8)7-4/h4,6H,2-3H2,1H3,(H,7,8)
InChIKeyASFOHWKEKBODLZ-UHFFFAOYSA-N
MW114.15 g/mol
LogP-0.91
Rot. Bonds

About 6-methylpiperazin-2-one

6-methylpiperazin-2-one (PubChem CID 13190463) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 6-methylpiperazin-2-one.

Molecular Properties

Compound Name6-methylpiperazin-2-one
PubChem CID13190463
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name6-methylpiperazin-2-one
SMILESCC1CNCC(=O)N1
InChIInChI=1S/C5H10N2O/c1-4-2-6-3-5(8)7-4/h4,6H,2-3H2,1H3,(H,7,8)
InChIKeyASFOHWKEKBODLZ-UHFFFAOYSA-N
XLogP-0.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-Dimethylpiperazine-2,5-dione
CID 97704
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
Glycyl-l-alaninamide
CID 7019077
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 6-methylpiperazin-2-one?
The IUPAC name of 6-methylpiperazin-2-one (CID 13190463) is 6-methylpiperazin-2-one.
What is the SMILES notation for 6-methylpiperazin-2-one?
The canonical SMILES for 6-methylpiperazin-2-one is CC1CNCC(=O)N1.
What is the InChIKey of 6-methylpiperazin-2-one?
The InChIKey is ASFOHWKEKBODLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-4-2-6-3-5(8)7-4/h4,6H,2-3H2,1H3,(H,7,8).
What are the key properties of 6-methylpiperazin-2-one?
6-methylpiperazin-2-one has a molecular weight of 114.15 g/mol, XLogP of -0.91, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylpiperazin-2-one is sourced from PubChem (CID 13190463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).