2-[4-(2-amino-3-methylbutanoyl)piperazin-1-yl]-N-ethylacetamide

C13H26N4O2 — CID 54870603

IUPAC2-[4-(2-amino-3-methylbutanoyl)piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(C(=O)C(N)C(C)C)CC1
InChIInChI=1S/C13H26N4O2/c1-4-15-11(18)9-16-5-7-17(8-6-16)13(19)12(14)10(2)3/h10,12H,4-9,14H2,1-3H3,(H,15,18)
InChIKeyOMIYXAOHYRQGIS-UHFFFAOYSA-N
MW270.38 g/mol
LogP-0.75
Rot. Bonds5

About 2-[4-(2-amino-3-methylbutanoyl)piperazin-1-yl]-N-ethylacetamide

2-[4-(2-amino-3-methylbutanoyl)piperazin-1-yl]-N-ethylacetamide (PubChem CID 54870603) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[4-(2-amino-3-methylbutanoyl)piperazin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-(2-amino-3-methylbutanoyl)piperazin-1-yl]-N-ethylacetamide
PubChem CID54870603
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name2-[4-(2-amino-3-methylbutanoyl)piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(C(=O)C(N)C(C)C)CC1
InChIInChI=1S/C13H26N4O2/c1-4-15-11(18)9-16-5-7-17(8-6-16)13(19)12(14)10(2)3/h10,12H,4-9,14H2,1-3H3,(H,15,18)
InChIKeyOMIYXAOHYRQGIS-UHFFFAOYSA-N
XLogP-0.75
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-amino-3-methylbutanoyl)piperazin-1-yl]-N-ethylacetamide 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

2-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]-N-ethylacetamide
CID 54995847
4-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]-2,3-dimethyl-4-oxobutanoic acid
CID 103497635
2-[4-(3-aminobutanoyl)-1,4-diazepan-1-yl]-N-ethylacetamide
CID 120872775
(2S)-2-amino-3-methyl-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119833980
2-amino-3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one
CID 60962672
2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-propylacetamide
CID 61165020
(2S)-2-amino-3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119831584
2-[4-[(2S)-2-amino-3-phenylpropanoyl]piperazin-1-yl]-N-ethylacetamide;dihydrochloride
CID 119843978
2-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
CID 119843968
N-ethyl-2-[4-[3-(ethylamino)butanoyl]piperazin-1-yl]acetamide
CID 62837069
2-(azetidin-1-yl)-N-ethylacetamide
CID 129266397
2-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 93368513

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-3-methylbutanoyl)piperazin-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[4-(2-amino-3-methylbutanoyl)piperazin-1-yl]-N-ethylacetamide (CID 54870603) is 2-[4-(2-amino-3-methylbutanoyl)piperazin-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[4-(2-amino-3-methylbutanoyl)piperazin-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[4-(2-amino-3-methylbutanoyl)piperazin-1-yl]-N-ethylacetamide is CCNC(=O)CN1CCN(C(=O)C(N)C(C)C)CC1.
What is the InChIKey of 2-[4-(2-amino-3-methylbutanoyl)piperazin-1-yl]-N-ethylacetamide?
The InChIKey is OMIYXAOHYRQGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-4-15-11(18)9-16-5-7-17(8-6-16)13(19)12(14)10(2)3/h10,12H,4-9,14H2,1-3H3,(H,15,18).
What are the key properties of 2-[4-(2-amino-3-methylbutanoyl)piperazin-1-yl]-N-ethylacetamide?
2-[4-(2-amino-3-methylbutanoyl)piperazin-1-yl]-N-ethylacetamide has a molecular weight of 270.38 g/mol, XLogP of -0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-3-methylbutanoyl)piperazin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 54870603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).