4-(3,3-dimethyl-2-oxobutyl)-3-ethylpiperazin-2-one

C12H22N2O2 — CID 63600469

IUPAC4-(3,3-dimethyl-2-oxobutyl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1CC(=O)C(C)(C)C
InChIInChI=1S/C12H22N2O2/c1-5-9-11(16)13-6-7-14(9)8-10(15)12(2,3)4/h9H,5-8H2,1-4H3,(H,13,16)
InChIKeyWTIMPIPXGMXLME-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.81
Rot. Bonds3

About 4-(3,3-dimethyl-2-oxobutyl)-3-ethylpiperazin-2-one

4-(3,3-dimethyl-2-oxobutyl)-3-ethylpiperazin-2-one (PubChem CID 63600469) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-(3,3-dimethyl-2-oxobutyl)-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-(3,3-dimethyl-2-oxobutyl)-3-ethylpiperazin-2-one
PubChem CID63600469
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name4-(3,3-dimethyl-2-oxobutyl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1CC(=O)C(C)(C)C
InChIInChI=1S/C12H22N2O2/c1-5-9-11(16)13-6-7-14(9)8-10(15)12(2,3)4/h9H,5-8H2,1-4H3,(H,13,16)
InChIKeyWTIMPIPXGMXLME-UHFFFAOYSA-N
XLogP0.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethyl-3-oxopiperazin-1-yl)acetic acid
CID 63600273
3-ethyl-4-(2-oxopropyl)piperazin-2-one
CID 63600634
4-(2-amino-2-methylpropyl)-3-ethylpiperazin-2-one;hydrochloride
CID 131089454
4-[(E)-3-chloroprop-2-enyl]-3-ethylpiperazin-2-one
CID 131234767
3-ethyl-4-(2-oxo-3-phenylpropyl)piperazin-2-one
CID 63602203
3-ethyl-4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]piperazin-2-one
CID 63601156
(2-ethyl-3-oxopiperazin-1-yl) 2,2-dimethylpropanoate
CID 174596328
3-ethyl-4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-2-one
CID 63602736
N-methyl-2-[(2S)-1-[(E)-2-methylpent-2-enyl]-3-oxopiperazin-2-yl]acetamide
CID 95209721
5-(2-ethyl-3-oxopiperazin-1-yl)pentanehydrazide
CID 63602786
N-(4-aminophenyl)-2-(2-ethyl-3-oxopiperazin-1-yl)acetamide
CID 63602156
2-(2-ethyl-3-oxopiperazin-1-yl)propanoic acid
CID 63602723

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethyl-2-oxobutyl)-3-ethylpiperazin-2-one?
The IUPAC name of 4-(3,3-dimethyl-2-oxobutyl)-3-ethylpiperazin-2-one (CID 63600469) is 4-(3,3-dimethyl-2-oxobutyl)-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-(3,3-dimethyl-2-oxobutyl)-3-ethylpiperazin-2-one?
The canonical SMILES for 4-(3,3-dimethyl-2-oxobutyl)-3-ethylpiperazin-2-one is CCC1C(=O)NCCN1CC(=O)C(C)(C)C.
What is the InChIKey of 4-(3,3-dimethyl-2-oxobutyl)-3-ethylpiperazin-2-one?
The InChIKey is WTIMPIPXGMXLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-5-9-11(16)13-6-7-14(9)8-10(15)12(2,3)4/h9H,5-8H2,1-4H3,(H,13,16).
What are the key properties of 4-(3,3-dimethyl-2-oxobutyl)-3-ethylpiperazin-2-one?
4-(3,3-dimethyl-2-oxobutyl)-3-ethylpiperazin-2-one has a molecular weight of 226.32 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethyl-2-oxobutyl)-3-ethylpiperazin-2-one is sourced from PubChem (CID 63600469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).