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

C15H19N3O3 — CID 66069345

IUPAC4-(2-amino-2-phenylpropanoyl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)C(C)(N)c1ccccc1
InChIInChI=1S/C15H19N3O3/c1-3-11-13(20)17-12(19)9-18(11)14(21)15(2,16)10-7-5-4-6-8-10/h4-8,11H,3,9,16H2,1-2H3,(H,17,19,20)
InChIKeyRKJATGHLZLUVRP-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.12
Rot. Bonds3

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

4-(2-amino-2-phenylpropanoyl)-3-ethylpiperazine-2,6-dione (PubChem CID 66069345) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-(2-amino-2-phenylpropanoyl)-3-ethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(2-amino-2-phenylpropanoyl)-3-ethylpiperazine-2,6-dione
PubChem CID66069345
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name4-(2-amino-2-phenylpropanoyl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)C(C)(N)c1ccccc1
InChIInChI=1S/C15H19N3O3/c1-3-11-13(20)17-12(19)9-18(11)14(21)15(2,16)10-7-5-4-6-8-10/h4-8,11H,3,9,16H2,1-2H3,(H,17,19,20)
InChIKeyRKJATGHLZLUVRP-UHFFFAOYSA-N
XLogP0.12
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 ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-phenylpropanoyl)-3-ethylpiperazine-2,6-dione?
The IUPAC name of 4-(2-amino-2-phenylpropanoyl)-3-ethylpiperazine-2,6-dione (CID 66069345) is 4-(2-amino-2-phenylpropanoyl)-3-ethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(2-amino-2-phenylpropanoyl)-3-ethylpiperazine-2,6-dione?
The canonical SMILES for 4-(2-amino-2-phenylpropanoyl)-3-ethylpiperazine-2,6-dione is CCC1C(=O)NC(=O)CN1C(=O)C(C)(N)c1ccccc1.
What is the InChIKey of 4-(2-amino-2-phenylpropanoyl)-3-ethylpiperazine-2,6-dione?
The InChIKey is RKJATGHLZLUVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-11-13(20)17-12(19)9-18(11)14(21)15(2,16)10-7-5-4-6-8-10/h4-8,11H,3,9,16H2,1-2H3,(H,17,19,20).
What are the key properties of 4-(2-amino-2-phenylpropanoyl)-3-ethylpiperazine-2,6-dione?
4-(2-amino-2-phenylpropanoyl)-3-ethylpiperazine-2,6-dione has a molecular weight of 289.33 g/mol, XLogP of 0.12, 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-phenylpropanoyl)-3-ethylpiperazine-2,6-dione is sourced from PubChem (CID 66069345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).