4-(3-amino-2-methyl-3-phenylpropanoyl)-3-methylpiperazine-2,6-dione

C15H19N3O3 — CID 80547128

IUPAC4-(3-amino-2-methyl-3-phenylpropanoyl)-3-methylpiperazine-2,6-dione
SMILESCC(C(=O)N1CC(=O)NC(=O)C1C)C(N)c1ccccc1
InChIInChI=1S/C15H19N3O3/c1-9(13(16)11-6-4-3-5-7-11)15(21)18-8-12(19)17-14(20)10(18)2/h3-7,9-10,13H,8,16H2,1-2H3,(H,17,19,20)
InChIKeyYXPTVBHWERHLTA-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.20
Rot. Bonds3

About 4-(3-amino-2-methyl-3-phenylpropanoyl)-3-methylpiperazine-2,6-dione

4-(3-amino-2-methyl-3-phenylpropanoyl)-3-methylpiperazine-2,6-dione (PubChem CID 80547128) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-(3-amino-2-methyl-3-phenylpropanoyl)-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(3-amino-2-methyl-3-phenylpropanoyl)-3-methylpiperazine-2,6-dione
PubChem CID80547128
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name4-(3-amino-2-methyl-3-phenylpropanoyl)-3-methylpiperazine-2,6-dione
SMILESCC(C(=O)N1CC(=O)NC(=O)C1C)C(N)c1ccccc1
InChIInChI=1S/C15H19N3O3/c1-9(13(16)11-6-4-3-5-7-11)15(21)18-8-12(19)17-14(20)10(18)2/h3-7,9-10,13H,8,16H2,1-2H3,(H,17,19,20)
InChIKeyYXPTVBHWERHLTA-UHFFFAOYSA-N
XLogP0.20
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-(2,2-difluoroacetyl)-3-methylpiperazine-2,6-dione
CID 103514063
3-methyl-4-(3-methyl-2-sulfanylbutanoyl)piperazine-2,6-dione
CID 107031724
1-(3-amino-2-methyl-3-phenylpropanoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 80546825
4-(2-amino-2-phenylacetyl)-3-ethylpiperazine-2,6-dione
CID 66069529
(4R)-3-(3-amino-2-methyl-3-phenylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 80552142
4-[2-amino-3-(4-hydroxyphenyl)propanoyl]-3-methylpiperazine-2,6-dione
CID 77111233
3-amino-2-methyl-1-(3-methylthiomorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride
CID 119785840
3-amino-1-(2,6-dimethylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-one
CID 80551725
1-(3-amino-2-methyl-3-phenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 80552235
(3R,6R)-1-[(2S,3S)-3-amino-2-methyl-3-phenylpropanoyl]-6-methylpiperidine-3-carboxamide
CID 124598327
(3R,6S)-1-[(2S,3S)-3-amino-2-methyl-3-phenylpropanoyl]-6-methylpiperidine-3-carboxamide
CID 124598329
3-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-phenylpropan-1-one
CID 119804296

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2-methyl-3-phenylpropanoyl)-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-(3-amino-2-methyl-3-phenylpropanoyl)-3-methylpiperazine-2,6-dione (CID 80547128) is 4-(3-amino-2-methyl-3-phenylpropanoyl)-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-(3-amino-2-methyl-3-phenylpropanoyl)-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-(3-amino-2-methyl-3-phenylpropanoyl)-3-methylpiperazine-2,6-dione is CC(C(=O)N1CC(=O)NC(=O)C1C)C(N)c1ccccc1.
What is the InChIKey of 4-(3-amino-2-methyl-3-phenylpropanoyl)-3-methylpiperazine-2,6-dione?
The InChIKey is YXPTVBHWERHLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9(13(16)11-6-4-3-5-7-11)15(21)18-8-12(19)17-14(20)10(18)2/h3-7,9-10,13H,8,16H2,1-2H3,(H,17,19,20).
What are the key properties of 4-(3-amino-2-methyl-3-phenylpropanoyl)-3-methylpiperazine-2,6-dione?
4-(3-amino-2-methyl-3-phenylpropanoyl)-3-methylpiperazine-2,6-dione has a molecular weight of 289.33 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2-methyl-3-phenylpropanoyl)-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 80547128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).