4-(2-amino-2-phenylacetyl)-3-ethylpiperazine-2,6-dione

C14H17N3O3 — CID 66069529

IUPAC4-(2-amino-2-phenylacetyl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)C(N)c1ccccc1
InChIInChI=1S/C14H17N3O3/c1-2-10-13(19)16-11(18)8-17(10)14(20)12(15)9-6-4-3-5-7-9/h3-7,10,12H,2,8,15H2,1H3,(H,16,18,19)
InChIKeyMOGSWDBDWSTEFT-UHFFFAOYSA-N
MW275.31 g/mol
LogP-0.05
Rot. Bonds3

About 4-(2-amino-2-phenylacetyl)-3-ethylpiperazine-2,6-dione

4-(2-amino-2-phenylacetyl)-3-ethylpiperazine-2,6-dione (PubChem CID 66069529) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-(2-amino-2-phenylacetyl)-3-ethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(2-amino-2-phenylacetyl)-3-ethylpiperazine-2,6-dione
PubChem CID66069529
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name4-(2-amino-2-phenylacetyl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)C(N)c1ccccc1
InChIInChI=1S/C14H17N3O3/c1-2-10-13(19)16-11(18)8-17(10)14(20)12(15)9-6-4-3-5-7-9/h3-7,10,12H,2,8,15H2,1H3,(H,16,18,19)
InChIKeyMOGSWDBDWSTEFT-UHFFFAOYSA-N
XLogP-0.05
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.05
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-[(2R)-2-amino-3-phenylpropanoyl]-3-ethylpiperazine-2,6-dione
CID 79026795
4-[2-(3-aminophenyl)propanoyl]-3-ethylpiperazine-2,6-dione
CID 106591584
4-[(2S)-2-amino-3-methylbutanoyl]-3-ethylpiperazine-2,6-dione
CID 79026797
4-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-ethylpiperazine-2,6-dione
CID 66069151
4-[(2R)-2-amino-4-methylpentanoyl]-3-ethylpiperazine-2,6-dione
CID 104903657
4-(2-amino-1-phenylpropyl)-3-ethylpiperazine-2,6-dione
CID 66068482
4-(2,3-dimethylbutanoyl)-3-ethylpiperazine-2,6-dione
CID 66069304
4-(2-amino-2-phenylpropanoyl)-3-ethylpiperazine-2,6-dione
CID 66069345
4-(2-amino-4-methylsulfonylbutanoyl)-3-ethylpiperazine-2,6-dione
CID 66068962
4-(2,3-dihydro-1H-indene-2-carbonyl)-3-ethylpiperazine-2,6-dione
CID 106893244
4-(2-benzylsulfanylacetyl)-3-ethylpiperazine-2,6-dione
CID 66068319
3-(2-ethyl-3,5-dioxopiperazin-1-yl)-2-methyl-3-oxopropanenitrile
CID 66067037

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-phenylacetyl)-3-ethylpiperazine-2,6-dione?
The IUPAC name of 4-(2-amino-2-phenylacetyl)-3-ethylpiperazine-2,6-dione (CID 66069529) is 4-(2-amino-2-phenylacetyl)-3-ethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(2-amino-2-phenylacetyl)-3-ethylpiperazine-2,6-dione?
The canonical SMILES for 4-(2-amino-2-phenylacetyl)-3-ethylpiperazine-2,6-dione is CCC1C(=O)NC(=O)CN1C(=O)C(N)c1ccccc1.
What is the InChIKey of 4-(2-amino-2-phenylacetyl)-3-ethylpiperazine-2,6-dione?
The InChIKey is MOGSWDBDWSTEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-2-10-13(19)16-11(18)8-17(10)14(20)12(15)9-6-4-3-5-7-9/h3-7,10,12H,2,8,15H2,1H3,(H,16,18,19).
What are the key properties of 4-(2-amino-2-phenylacetyl)-3-ethylpiperazine-2,6-dione?
4-(2-amino-2-phenylacetyl)-3-ethylpiperazine-2,6-dione has a molecular weight of 275.31 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-phenylacetyl)-3-ethylpiperazine-2,6-dione is sourced from PubChem (CID 66069529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).