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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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).