N-[3-methyl-1-oxo-1-(3-oxopiperazin-1-yl)butan-2-yl]acetamide

C11H19N3O3 — CID 60636396

IUPACN-[3-methyl-1-oxo-1-(3-oxopiperazin-1-yl)butan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)N1CCNC(=O)C1)C(C)C
InChIInChI=1S/C11H19N3O3/c1-7(2)10(13-8(3)15)11(17)14-5-4-12-9(16)6-14/h7,10H,4-6H2,1-3H3,(H,12,16)(H,13,15)
InChIKeyMMTFNIPZSWHOMO-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.89
Rot. Bonds3

About N-[3-methyl-1-oxo-1-(3-oxopiperazin-1-yl)butan-2-yl]acetamide

N-[3-methyl-1-oxo-1-(3-oxopiperazin-1-yl)butan-2-yl]acetamide (PubChem CID 60636396) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is N-[3-methyl-1-oxo-1-(3-oxopiperazin-1-yl)butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-methyl-1-oxo-1-(3-oxopiperazin-1-yl)butan-2-yl]acetamide
PubChem CID60636396
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC NameN-[3-methyl-1-oxo-1-(3-oxopiperazin-1-yl)butan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)N1CCNC(=O)C1)C(C)C
InChIInChI=1S/C11H19N3O3/c1-7(2)10(13-8(3)15)11(17)14-5-4-12-9(16)6-14/h7,10H,4-6H2,1-3H3,(H,12,16)(H,13,15)
InChIKeyMMTFNIPZSWHOMO-UHFFFAOYSA-N
XLogP-0.89
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-methyl-1-oxo-1-(3-oxopiperazin-1-yl)butan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-oxo-1-(3-oxopiperazin-1-yl)butan-2-yl]acetamide?
The IUPAC name of N-[3-methyl-1-oxo-1-(3-oxopiperazin-1-yl)butan-2-yl]acetamide (CID 60636396) is N-[3-methyl-1-oxo-1-(3-oxopiperazin-1-yl)butan-2-yl]acetamide.
What is the SMILES notation for N-[3-methyl-1-oxo-1-(3-oxopiperazin-1-yl)butan-2-yl]acetamide?
The canonical SMILES for N-[3-methyl-1-oxo-1-(3-oxopiperazin-1-yl)butan-2-yl]acetamide is CC(=O)NC(C(=O)N1CCNC(=O)C1)C(C)C.
What is the InChIKey of N-[3-methyl-1-oxo-1-(3-oxopiperazin-1-yl)butan-2-yl]acetamide?
The InChIKey is MMTFNIPZSWHOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-7(2)10(13-8(3)15)11(17)14-5-4-12-9(16)6-14/h7,10H,4-6H2,1-3H3,(H,12,16)(H,13,15).
What are the key properties of N-[3-methyl-1-oxo-1-(3-oxopiperazin-1-yl)butan-2-yl]acetamide?
N-[3-methyl-1-oxo-1-(3-oxopiperazin-1-yl)butan-2-yl]acetamide has a molecular weight of 241.29 g/mol, XLogP of -0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-oxo-1-(3-oxopiperazin-1-yl)butan-2-yl]acetamide is sourced from PubChem (CID 60636396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).