1-ethyl-4,5-dimethylpiperazin-2-one

C8H16N2O — CID 156824665

IUPAC1-ethyl-4,5-dimethylpiperazin-2-one
SMILESCCN1CC(C)N(C)CC1=O
InChIInChI=1S/C8H16N2O/c1-4-10-5-7(2)9(3)6-8(10)11/h7H,4-6H2,1-3H3
InChIKeyIQNVDRYIEQMYQA-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.17
Rot. Bonds1

About 1-ethyl-4,5-dimethylpiperazin-2-one

1-ethyl-4,5-dimethylpiperazin-2-one (PubChem CID 156824665) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-ethyl-4,5-dimethylpiperazin-2-one.

Molecular Properties

Compound Name1-ethyl-4,5-dimethylpiperazin-2-one
PubChem CID156824665
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-ethyl-4,5-dimethylpiperazin-2-one
SMILESCCN1CC(C)N(C)CC1=O
InChIInChI=1S/C8H16N2O/c1-4-10-5-7(2)9(3)6-8(10)11/h7H,4-6H2,1-3H3
InChIKeyIQNVDRYIEQMYQA-UHFFFAOYSA-N
XLogP0.17
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-4-tert-butyl-1-ethyl-5-methylpiperazin-2-one
CID 168820502
1-ethyl-4-(3-hydroxybutyl)-5-methylpiperazin-2-one
CID 112546859
(4R)-1-ethyl-3,4-dimethylimidazolidin-2-one
CID 178098960
tert-butyl (2S)-4-ethyl-2-methyl-5-oxopiperazine-1-carboxylate
CID 90740557
1-ethyl-5-methylpiperidine-2,4-dione
CID 14800179
diethyl 2-[[(2S)-4-ethyl-2-methyl-5-oxopiperazin-1-yl]methylidene]propanedioate
CID 68865327
1,2-dimethylaziridine;propanoic acid
CID 175486579
2-ethyl-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-one
CID 130927080
2-ethyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-3-one
CID 130774971
3-ethyl-9-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 557465
2-ethyl-7,7-dimethyl-4,6,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-3-one
CID 145406806
1-ethyl-4-propan-2-ylpyrrolidin-2-one
CID 122470396

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4,5-dimethylpiperazin-2-one?
The IUPAC name of 1-ethyl-4,5-dimethylpiperazin-2-one (CID 156824665) is 1-ethyl-4,5-dimethylpiperazin-2-one.
What is the SMILES notation for 1-ethyl-4,5-dimethylpiperazin-2-one?
The canonical SMILES for 1-ethyl-4,5-dimethylpiperazin-2-one is CCN1CC(C)N(C)CC1=O.
What is the InChIKey of 1-ethyl-4,5-dimethylpiperazin-2-one?
The InChIKey is IQNVDRYIEQMYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-4-10-5-7(2)9(3)6-8(10)11/h7H,4-6H2,1-3H3.
What are the key properties of 1-ethyl-4,5-dimethylpiperazin-2-one?
1-ethyl-4,5-dimethylpiperazin-2-one has a molecular weight of 156.23 g/mol, XLogP of 0.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,5-dimethylpiperazin-2-one is sourced from PubChem (CID 156824665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).