2-[4-(2-aminobutanoyl)piperazin-1-yl]-N-methylacetamide

C11H22N4O2 — CID 54869276

IUPAC2-[4-(2-aminobutanoyl)piperazin-1-yl]-N-methylacetamide
SMILESCCC(N)C(=O)N1CCN(CC(=O)NC)CC1
InChIInChI=1S/C11H22N4O2/c1-3-9(12)11(17)15-6-4-14(5-7-15)8-10(16)13-2/h9H,3-8,12H2,1-2H3,(H,13,16)
InChIKeyJJMHZHZESQSBDI-UHFFFAOYSA-N
MW242.32 g/mol
LogP-1.39
Rot. Bonds4

About 2-[4-(2-aminobutanoyl)piperazin-1-yl]-N-methylacetamide

2-[4-(2-aminobutanoyl)piperazin-1-yl]-N-methylacetamide (PubChem CID 54869276) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[4-(2-aminobutanoyl)piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(2-aminobutanoyl)piperazin-1-yl]-N-methylacetamide
PubChem CID54869276
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name2-[4-(2-aminobutanoyl)piperazin-1-yl]-N-methylacetamide
SMILESCCC(N)C(=O)N1CCN(CC(=O)NC)CC1
InChIInChI=1S/C11H22N4O2/c1-3-9(12)11(17)15-6-4-14(5-7-15)8-10(16)13-2/h9H,3-8,12H2,1-2H3,(H,13,16)
InChIKeyJJMHZHZESQSBDI-UHFFFAOYSA-N
XLogP-1.39
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-aminobutanoyl)piperazin-1-yl]-N-methylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

methyl 2-[4-(2-aminobutanoyl)piperazin-1-yl]acetate
CID 54874509
N-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 60641709
2-[4-(2-amino-3,3-dimethylbutanoyl)piperazin-1-yl]-N-methylacetamide
CID 76895214
2-amino-1-(4-prop-2-ynylpiperazin-1-yl)butan-1-one
CID 60962945
1-(4-acetylpiperazin-1-yl)-2-aminobutan-1-one
CID 60893476
2-[4-(2-aminopentanoyl)piperazin-1-yl]-N-propylacetamide
CID 60936804
2-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]-N-ethylacetamide
CID 54995847
(2S)-2-amino-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119838358
2-[4-(2-acetamido-3-methylbutanoyl)piperazin-1-yl]-N-methylacetamide
CID 78803750
2-[4,7-bis(carboxymethyl)-10-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 19838418
2-[4-(2-amino-3-methylbutanoyl)piperazin-1-yl]-N-ethylacetamide
CID 54870603
(2S)-2-amino-1-thiomorpholin-4-ylbutan-1-one
CID 79025535

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminobutanoyl)piperazin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(2-aminobutanoyl)piperazin-1-yl]-N-methylacetamide (CID 54869276) is 2-[4-(2-aminobutanoyl)piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(2-aminobutanoyl)piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(2-aminobutanoyl)piperazin-1-yl]-N-methylacetamide is CCC(N)C(=O)N1CCN(CC(=O)NC)CC1.
What is the InChIKey of 2-[4-(2-aminobutanoyl)piperazin-1-yl]-N-methylacetamide?
The InChIKey is JJMHZHZESQSBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-3-9(12)11(17)15-6-4-14(5-7-15)8-10(16)13-2/h9H,3-8,12H2,1-2H3,(H,13,16).
What are the key properties of 2-[4-(2-aminobutanoyl)piperazin-1-yl]-N-methylacetamide?
2-[4-(2-aminobutanoyl)piperazin-1-yl]-N-methylacetamide has a molecular weight of 242.32 g/mol, XLogP of -1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminobutanoyl)piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 54869276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).