4-(2,2-dimethylpropanoyl)-1-ethylpiperazin-2-one

C11H20N2O2 — CID 20660448

IUPAC4-(2,2-dimethylpropanoyl)-1-ethylpiperazin-2-one
SMILESCCN1CCN(C(=O)C(C)(C)C)CC1=O
InChIInChI=1S/C11H20N2O2/c1-5-12-6-7-13(8-9(12)14)10(15)11(2,3)4/h5-8H2,1-4H3
InChIKeyJWYPKEOKZKBQQK-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.72
Rot. Bonds1

About 4-(2,2-dimethylpropanoyl)-1-ethylpiperazin-2-one

4-(2,2-dimethylpropanoyl)-1-ethylpiperazin-2-one (PubChem CID 20660448) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-(2,2-dimethylpropanoyl)-1-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-(2,2-dimethylpropanoyl)-1-ethylpiperazin-2-one
PubChem CID20660448
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name4-(2,2-dimethylpropanoyl)-1-ethylpiperazin-2-one
SMILESCCN1CCN(C(=O)C(C)(C)C)CC1=O
InChIInChI=1S/C11H20N2O2/c1-5-12-6-7-13(8-9(12)14)10(15)11(2,3)4/h5-8H2,1-4H3
InChIKeyJWYPKEOKZKBQQK-UHFFFAOYSA-N
XLogP0.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-bromophenyl)sulfonylmethyl]-4-(2,2-dimethylpropanoyl)piperazin-2-one
CID 156684487
1-(2-deuterio-4-ethyl-3-oxopiperazin-1-yl)-2,2-dimethylpentane-1,4-dione
CID 59958253
1-(2-deuterio-4-ethyl-3-oxopiperazin-1-yl)-2,2-dimethylpentane-1,4-dione;ethane;methane
CID 160825155
1-(2,2-dimethylpropanoyl)-3-methylimidazolidin-4-one
CID 130670161
2-methyl-2-(4-methyl-3-oxopiperazine-1-carbonyl)butanenitrile
CID 114291589
1-(4-acetylpiperazin-1-yl)-2,2-dimethylpropan-1-one;4-(2,2-dimethylpropanoyl)piperazin-2-one
CID 160882025
tert-butyl 4-decyl-3-oxopiperazine-1-carboxylate
CID 70137747
(4S)-1-(2,2-dimethylpropanoyl)-4-hydroxypiperidin-3-one
CID 89212312
2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 158455362
2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 3360236
tert-butyl 4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-3-oxopiperazine-1-carboxylate
CID 95636021
1-ethyl-4-(2-methylpropyl)piperazin-2-one
CID 117013553

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropanoyl)-1-ethylpiperazin-2-one?
The IUPAC name of 4-(2,2-dimethylpropanoyl)-1-ethylpiperazin-2-one (CID 20660448) is 4-(2,2-dimethylpropanoyl)-1-ethylpiperazin-2-one.
What is the SMILES notation for 4-(2,2-dimethylpropanoyl)-1-ethylpiperazin-2-one?
The canonical SMILES for 4-(2,2-dimethylpropanoyl)-1-ethylpiperazin-2-one is CCN1CCN(C(=O)C(C)(C)C)CC1=O.
What is the InChIKey of 4-(2,2-dimethylpropanoyl)-1-ethylpiperazin-2-one?
The InChIKey is JWYPKEOKZKBQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-5-12-6-7-13(8-9(12)14)10(15)11(2,3)4/h5-8H2,1-4H3.
What are the key properties of 4-(2,2-dimethylpropanoyl)-1-ethylpiperazin-2-one?
4-(2,2-dimethylpropanoyl)-1-ethylpiperazin-2-one has a molecular weight of 212.29 g/mol, XLogP of 0.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropanoyl)-1-ethylpiperazin-2-one is sourced from PubChem (CID 20660448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).