4-(2-amino-1-phenylethyl)-3-methylpiperazine-2,6-dione

C13H17N3O2 — CID 66061881

IUPAC4-(2-amino-1-phenylethyl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(CN)c1ccccc1
InChIInChI=1S/C13H17N3O2/c1-9-13(18)15-12(17)8-16(9)11(7-14)10-5-3-2-4-6-10/h2-6,9,11H,7-8,14H2,1H3,(H,15,17,18)
InChIKeyAMUPUEPRGXLBPX-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.03
Rot. Bonds3

About 4-(2-amino-1-phenylethyl)-3-methylpiperazine-2,6-dione

4-(2-amino-1-phenylethyl)-3-methylpiperazine-2,6-dione (PubChem CID 66061881) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-(2-amino-1-phenylethyl)-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(2-amino-1-phenylethyl)-3-methylpiperazine-2,6-dione
PubChem CID66061881
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name4-(2-amino-1-phenylethyl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(CN)c1ccccc1
InChIInChI=1S/C13H17N3O2/c1-9-13(18)15-12(17)8-16(9)11(7-14)10-5-3-2-4-6-10/h2-6,9,11H,7-8,14H2,1H3,(H,15,17,18)
InChIKeyAMUPUEPRGXLBPX-UHFFFAOYSA-N
XLogP0.03
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.03
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-(1-amino-3,3-dimethylbutan-2-yl)-3-methylpiperazine-2,6-dione
CID 66062279
4-(2-amino-1-pyridin-2-ylethyl)-3-ethylpiperazine-2,6-dione
CID 66068683
4-(2-amino-1-phenylpropyl)-3-ethylpiperazine-2,6-dione
CID 66068482
4-[2-amino-1-(2-bromophenyl)butyl]-3-methylpiperazine-2,6-dione
CID 66063449
4-[2-amino-1-(3-methoxyphenyl)propyl]-3-methylpiperazine-2,6-dione
CID 66062272
4-(3-amino-2-methyl-3-phenylpropanoyl)-3-methylpiperazine-2,6-dione
CID 80547128
4-[2-(aminomethyl)phenyl]-3-methylpiperazine-2,6-dione
CID 66061098
(2R)-1-benzhydryl-2-methylazetidin-3-one
CID 92860345
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylethanamine
CID 16642936
3-methyl-4-(3-oxo-3-phenylpropyl)piperazine-2,6-dione
CID 116691840
4-(benzenesulfonyl)-3-methylpiperazine-2,6-dione
CID 66062559
2-phenyl-2-pyrrol-1-ylethanamine
CID 63763733

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1-phenylethyl)-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-(2-amino-1-phenylethyl)-3-methylpiperazine-2,6-dione (CID 66061881) is 4-(2-amino-1-phenylethyl)-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-(2-amino-1-phenylethyl)-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-(2-amino-1-phenylethyl)-3-methylpiperazine-2,6-dione is CC1C(=O)NC(=O)CN1C(CN)c1ccccc1.
What is the InChIKey of 4-(2-amino-1-phenylethyl)-3-methylpiperazine-2,6-dione?
The InChIKey is AMUPUEPRGXLBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9-13(18)15-12(17)8-16(9)11(7-14)10-5-3-2-4-6-10/h2-6,9,11H,7-8,14H2,1H3,(H,15,17,18).
What are the key properties of 4-(2-amino-1-phenylethyl)-3-methylpiperazine-2,6-dione?
4-(2-amino-1-phenylethyl)-3-methylpiperazine-2,6-dione has a molecular weight of 247.30 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1-phenylethyl)-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 66061881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).