4-(2-amino-1-phenylpropyl)-3-ethylpiperazine-2,6-dione

C15H21N3O2 — CID 66068482

IUPAC4-(2-amino-1-phenylpropyl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(c1ccccc1)C(C)N
InChIInChI=1S/C15H21N3O2/c1-3-12-15(20)17-13(19)9-18(12)14(10(2)16)11-7-5-4-6-8-11/h4-8,10,12,14H,3,9,16H2,1-2H3,(H,17,19,20)
InChIKeyQEGQWXXGMYPOHN-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.81
Rot. Bonds4

About 4-(2-amino-1-phenylpropyl)-3-ethylpiperazine-2,6-dione

4-(2-amino-1-phenylpropyl)-3-ethylpiperazine-2,6-dione (PubChem CID 66068482) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-(2-amino-1-phenylpropyl)-3-ethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(2-amino-1-phenylpropyl)-3-ethylpiperazine-2,6-dione
PubChem CID66068482
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-(2-amino-1-phenylpropyl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(c1ccccc1)C(C)N
InChIInChI=1S/C15H21N3O2/c1-3-12-15(20)17-13(19)9-18(12)14(10(2)16)11-7-5-4-6-8-11/h4-8,10,12,14H,3,9,16H2,1-2H3,(H,17,19,20)
InChIKeyQEGQWXXGMYPOHN-UHFFFAOYSA-N
XLogP0.81
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.81
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-amino-1-pyridin-3-ylpropyl)-3-ethylpiperazine-2,6-dione
CID 66067712
4-[2-amino-1-(3-fluorophenyl)propyl]-3-ethylpiperazine-2,6-dione
CID 66068681
4-(2-amino-1-thiophen-2-ylpropyl)-3-ethylpiperazine-2,6-dione
CID 66068677
3-ethyl-4-(1-oxo-1-phenylpropan-2-yl)piperazine-2,6-dione
CID 66068748
4-(2-amino-2-phenylacetyl)-3-ethylpiperazine-2,6-dione
CID 66069529
4-[2-amino-1-(1-methylpyrazol-4-yl)butyl]-3-ethylpiperazine-2,6-dione
CID 66069633
4-(2-amino-1-pyridin-2-ylethyl)-3-ethylpiperazine-2,6-dione
CID 66068683
4-(2-amino-1-phenylethyl)-3-methylpiperazine-2,6-dione
CID 66061881
4-[(2R)-2-amino-3-phenylpropanoyl]-3-ethylpiperazine-2,6-dione
CID 79026795
5-ethyl-1-(1-phenylethyl)imidazolidine-2,4-dione
CID 150985688
4-(1-aminopentan-3-yl)-3-ethylpiperazine-2,6-dione
CID 66067337
4-[2-amino-1-(3-methoxyphenyl)propyl]-3-methylpiperazine-2,6-dione
CID 66062272

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1-phenylpropyl)-3-ethylpiperazine-2,6-dione?
The IUPAC name of 4-(2-amino-1-phenylpropyl)-3-ethylpiperazine-2,6-dione (CID 66068482) is 4-(2-amino-1-phenylpropyl)-3-ethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(2-amino-1-phenylpropyl)-3-ethylpiperazine-2,6-dione?
The canonical SMILES for 4-(2-amino-1-phenylpropyl)-3-ethylpiperazine-2,6-dione is CCC1C(=O)NC(=O)CN1C(c1ccccc1)C(C)N.
What is the InChIKey of 4-(2-amino-1-phenylpropyl)-3-ethylpiperazine-2,6-dione?
The InChIKey is QEGQWXXGMYPOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-12-15(20)17-13(19)9-18(12)14(10(2)16)11-7-5-4-6-8-11/h4-8,10,12,14H,3,9,16H2,1-2H3,(H,17,19,20).
What are the key properties of 4-(2-amino-1-phenylpropyl)-3-ethylpiperazine-2,6-dione?
4-(2-amino-1-phenylpropyl)-3-ethylpiperazine-2,6-dione has a molecular weight of 275.35 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1-phenylpropyl)-3-ethylpiperazine-2,6-dione is sourced from PubChem (CID 66068482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).