4-(3-ethyl-2-oxopiperazin-1-yl)-N,N-dimethylbutanamide

C12H23N3O2 — CID 63602271

IUPAC4-(3-ethyl-2-oxopiperazin-1-yl)-N,N-dimethylbutanamide
SMILESCCC1NCCN(CCCC(=O)N(C)C)C1=O
InChIInChI=1S/C12H23N3O2/c1-4-10-12(17)15(9-7-13-10)8-5-6-11(16)14(2)3/h10,13H,4-9H2,1-3H3
InChIKeyTYJLWWNTXJSKNK-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.07
Rot. Bonds5

About 4-(3-ethyl-2-oxopiperazin-1-yl)-N,N-dimethylbutanamide

4-(3-ethyl-2-oxopiperazin-1-yl)-N,N-dimethylbutanamide (PubChem CID 63602271) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-(3-ethyl-2-oxopiperazin-1-yl)-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-(3-ethyl-2-oxopiperazin-1-yl)-N,N-dimethylbutanamide
PubChem CID63602271
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name4-(3-ethyl-2-oxopiperazin-1-yl)-N,N-dimethylbutanamide
SMILESCCC1NCCN(CCCC(=O)N(C)C)C1=O
InChIInChI=1S/C12H23N3O2/c1-4-10-12(17)15(9-7-13-10)8-5-6-11(16)14(2)3/h10,13H,4-9H2,1-3H3
InChIKeyTYJLWWNTXJSKNK-UHFFFAOYSA-N
XLogP0.07
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-(3-oxo-4-propylpiperazin-2-yl)acetamide;hydrochloride
CID 110282730
N,N-dimethyl-2-(3-oxo-4-pent-4-enylpiperazin-2-yl)acetamide;hydrochloride
CID 110283705
(3R)-1,3-diethylpiperazin-2-one
CID 96645682
3-(3-ethyl-2,6-dioxopiperazin-1-yl)-N,N-dimethylpropanamide
CID 66068228
N-ethyl-N-methyl-2-(2-oxo-3-propylpiperazin-1-yl)acetamide
CID 172611657
2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N,N-dimethylacetamide;hydrochloride
CID 110283411
N,N-dimethyl-4-(2-oxo-3-piperidin-4-ylimidazolidin-1-yl)butanamide
CID 66000271
N-(2-hydroxyethyl)-N-methyl-2-[3-oxo-4-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 110283222
3-ethyl-1-(oxan-4-ylmethyl)piperazin-2-one
CID 63602279
2-(3-oxo-4-pent-4-enylpiperazin-2-yl)-N,N-bis(prop-2-enyl)acetamide
CID 110283730
3-ethyl-1-[(4-ethylphenyl)methyl]piperazin-2-one
CID 63601928
(3S)-1-benzyl-3-ethylpiperazin-2-one
CID 45095306

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-2-oxopiperazin-1-yl)-N,N-dimethylbutanamide?
The IUPAC name of 4-(3-ethyl-2-oxopiperazin-1-yl)-N,N-dimethylbutanamide (CID 63602271) is 4-(3-ethyl-2-oxopiperazin-1-yl)-N,N-dimethylbutanamide.
What is the SMILES notation for 4-(3-ethyl-2-oxopiperazin-1-yl)-N,N-dimethylbutanamide?
The canonical SMILES for 4-(3-ethyl-2-oxopiperazin-1-yl)-N,N-dimethylbutanamide is CCC1NCCN(CCCC(=O)N(C)C)C1=O.
What is the InChIKey of 4-(3-ethyl-2-oxopiperazin-1-yl)-N,N-dimethylbutanamide?
The InChIKey is TYJLWWNTXJSKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-4-10-12(17)15(9-7-13-10)8-5-6-11(16)14(2)3/h10,13H,4-9H2,1-3H3.
What are the key properties of 4-(3-ethyl-2-oxopiperazin-1-yl)-N,N-dimethylbutanamide?
4-(3-ethyl-2-oxopiperazin-1-yl)-N,N-dimethylbutanamide has a molecular weight of 241.33 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-2-oxopiperazin-1-yl)-N,N-dimethylbutanamide is sourced from PubChem (CID 63602271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).