2-[4-(2-amino-3,3-dimethylbutanoyl)piperazin-1-yl]-N-methylacetamide

C13H26N4O2 — CID 76895214

IUPAC2-[4-(2-amino-3,3-dimethylbutanoyl)piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(C(=O)C(N)C(C)(C)C)CC1
InChIInChI=1S/C13H26N4O2/c1-13(2,3)11(14)12(19)17-7-5-16(6-8-17)9-10(18)15-4/h11H,5-9,14H2,1-4H3,(H,15,18)
InChIKeyUODWGUQPEXTXBV-UHFFFAOYSA-N
MW270.38 g/mol
LogP-0.75
Rot. Bonds3

About 2-[4-(2-amino-3,3-dimethylbutanoyl)piperazin-1-yl]-N-methylacetamide

2-[4-(2-amino-3,3-dimethylbutanoyl)piperazin-1-yl]-N-methylacetamide (PubChem CID 76895214) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[4-(2-amino-3,3-dimethylbutanoyl)piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(2-amino-3,3-dimethylbutanoyl)piperazin-1-yl]-N-methylacetamide
PubChem CID76895214
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name2-[4-(2-amino-3,3-dimethylbutanoyl)piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(C(=O)C(N)C(C)(C)C)CC1
InChIInChI=1S/C13H26N4O2/c1-13(2,3)11(14)12(19)17-7-5-16(6-8-17)9-10(18)15-4/h11H,5-9,14H2,1-4H3,(H,15,18)
InChIKeyUODWGUQPEXTXBV-UHFFFAOYSA-N
XLogP-0.75
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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-3,3-dimethylbutanoyl)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

2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-propylacetamide
CID 61165020
2-[4-[(2R)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]acetic acid
CID 113353402
2-[4-(2-aminobutanoyl)piperazin-1-yl]-N-methylacetamide
CID 54869276
2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-cyclohexylacetamide
CID 119876865
N-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 60641709
2-[4-[(2R)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 103929106
2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-benzylacetamide
CID 119840188
(2R)-2-amino-3,3-dimethyl-1-(4-prop-2-ynylpiperazin-1-yl)butan-1-one
CID 113353381
3-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]propanoic acid
CID 61160075
2-[4-(2-acetamido-3-methylbutanoyl)piperazin-1-yl]-N-methylacetamide
CID 78803750
(2S)-2-amino-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;dihydrochloride
CID 119836715
(2S)-2-amino-3,3-dimethyl-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]butan-1-one
CID 119887954

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-3,3-dimethylbutanoyl)piperazin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(2-amino-3,3-dimethylbutanoyl)piperazin-1-yl]-N-methylacetamide (CID 76895214) is 2-[4-(2-amino-3,3-dimethylbutanoyl)piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(2-amino-3,3-dimethylbutanoyl)piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(2-amino-3,3-dimethylbutanoyl)piperazin-1-yl]-N-methylacetamide is CNC(=O)CN1CCN(C(=O)C(N)C(C)(C)C)CC1.
What is the InChIKey of 2-[4-(2-amino-3,3-dimethylbutanoyl)piperazin-1-yl]-N-methylacetamide?
The InChIKey is UODWGUQPEXTXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-13(2,3)11(14)12(19)17-7-5-16(6-8-17)9-10(18)15-4/h11H,5-9,14H2,1-4H3,(H,15,18).
What are the key properties of 2-[4-(2-amino-3,3-dimethylbutanoyl)piperazin-1-yl]-N-methylacetamide?
2-[4-(2-amino-3,3-dimethylbutanoyl)piperazin-1-yl]-N-methylacetamide has a molecular weight of 270.38 g/mol, XLogP of -0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-3,3-dimethylbutanoyl)piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 76895214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).