3-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1H-pyrazin-2-one

C11H17N5O2 — CID 114570905

IUPAC3-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1H-pyrazin-2-one
SMILESCN(CC(=O)N1CCNCC1)c1ncc[nH]c1=O
InChIInChI=1S/C11H17N5O2/c1-15(10-11(18)14-3-2-13-10)8-9(17)16-6-4-12-5-7-16/h2-3,12H,4-8H2,1H3,(H,14,18)
InChIKeyAKJRGHWIBAXMAE-UHFFFAOYSA-N
MW251.29 g/mol
LogP-1.36
Rot. Bonds3

About 3-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1H-pyrazin-2-one

3-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1H-pyrazin-2-one (PubChem CID 114570905) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1H-pyrazin-2-one
PubChem CID114570905
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name3-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1H-pyrazin-2-one
SMILESCN(CC(=O)N1CCNCC1)c1ncc[nH]c1=O
InChIInChI=1S/C11H17N5O2/c1-15(10-11(18)14-3-2-13-10)8-9(17)16-6-4-12-5-7-16/h2-3,12H,4-8H2,1H3,(H,14,18)
InChIKeyAKJRGHWIBAXMAE-UHFFFAOYSA-N
XLogP-1.36
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1H-pyrimidin-6-one
CID 136977630
2-[(1-ethylimidazol-2-yl)-methylamino]-1-piperazin-1-ylethanone
CID 62137503
2-[(4-methoxypyrimidin-2-yl)-methylamino]-1-piperazin-1-ylethanone
CID 54904291
2-[methyl(2-pyrazol-1-ylethyl)amino]-1-piperazin-1-ylethanone
CID 54960870
2-[methyl(thieno[3,2-d]pyrimidin-4-yl)amino]-1-piperazin-1-ylethanone
CID 61017410
2-(4-hydroxy-N-methylanilino)-1-piperazin-1-ylethanone
CID 39256203
2-(dimethylamino)-1-piperazin-1-ylethanone
CID 16770302
2-[methyl(phthalazin-1-yl)amino]-1-piperazin-1-ylethanone
CID 61017532
2-[(5-bromo-4-methoxypyrimidin-2-yl)-methylamino]-1-piperazin-1-ylethanone
CID 106998065
2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-piperazin-1-ylethanone;dihydrochloride
CID 119915287
5-methoxy-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyrimidin-6-one
CID 137009263
2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]-1-piperazin-1-ylethanone
CID 61241523

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1H-pyrazin-2-one?
The IUPAC name of 3-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1H-pyrazin-2-one (CID 114570905) is 3-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1H-pyrazin-2-one?
The canonical SMILES for 3-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1H-pyrazin-2-one is CN(CC(=O)N1CCNCC1)c1ncc[nH]c1=O.
What is the InChIKey of 3-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1H-pyrazin-2-one?
The InChIKey is AKJRGHWIBAXMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-15(10-11(18)14-3-2-13-10)8-9(17)16-6-4-12-5-7-16/h2-3,12H,4-8H2,1H3,(H,14,18).
What are the key properties of 3-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1H-pyrazin-2-one?
3-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1H-pyrazin-2-one has a molecular weight of 251.29 g/mol, XLogP of -1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1H-pyrazin-2-one is sourced from PubChem (CID 114570905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).