1-[2-(1-aminopropan-2-yl)phenyl]piperazine-2,5-dione

C13H17N3O2 — CID 117370677

IUPAC1-[2-(1-aminopropan-2-yl)phenyl]piperazine-2,5-dione
SMILESCC(CN)c1ccccc1N1CC(=O)NCC1=O
InChIInChI=1S/C13H17N3O2/c1-9(6-14)10-4-2-3-5-11(10)16-8-12(17)15-7-13(16)18/h2-5,9H,6-8,14H2,1H3,(H,15,17)
InChIKeyAKZRPLJAZPVWFO-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.21
Rot. Bonds3

About 1-[2-(1-aminopropan-2-yl)phenyl]piperazine-2,5-dione

1-[2-(1-aminopropan-2-yl)phenyl]piperazine-2,5-dione (PubChem CID 117370677) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-[2-(1-aminopropan-2-yl)phenyl]piperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-(1-aminopropan-2-yl)phenyl]piperazine-2,5-dione
PubChem CID117370677
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-[2-(1-aminopropan-2-yl)phenyl]piperazine-2,5-dione
SMILESCC(CN)c1ccccc1N1CC(=O)NCC1=O
InChIInChI=1S/C13H17N3O2/c1-9(6-14)10-4-2-3-5-11(10)16-8-12(17)15-7-13(16)18/h2-5,9H,6-8,14H2,1H3,(H,15,17)
InChIKeyAKZRPLJAZPVWFO-UHFFFAOYSA-N
XLogP0.21
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-propan-2-ylphenyl)piperazine-2,5-dione
CID 64955597
1-naphthalen-1-ylpiperazine-2,5-dione
CID 64955278
1-[2-[1-(aminomethyl)cyclobutyl]phenyl]piperazine-2,5-dione
CID 117436012
1-(2-acetylphenyl)piperazine-2,5-dione
CID 84695483
1-[2-(trifluoromethyl)phenyl]piperazine-2,5-dione
CID 64955519
1-[2-(isocyanatomethyl)phenyl]piperazine-2,5-dione
CID 117364388
1-(3-aminophenyl)piperazine-2,5-dione
CID 82512416
1-(3-bromo-2-methylphenyl)piperazine-2,5-dione
CID 107640130
1-[3-(2-amino-1-hydroxyethyl)phenyl]piperazine-2,5-dione
CID 117375756
1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]piperazine-2,5-dione
CID 117459419
4-[2-(1-hydroxypropan-2-yl)phenyl]piperazin-2-one
CID 117340762
1-(2-butan-2-ylphenyl)imidazolidin-2-one
CID 115370483

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminopropan-2-yl)phenyl]piperazine-2,5-dione?
The IUPAC name of 1-[2-(1-aminopropan-2-yl)phenyl]piperazine-2,5-dione (CID 117370677) is 1-[2-(1-aminopropan-2-yl)phenyl]piperazine-2,5-dione.
What is the SMILES notation for 1-[2-(1-aminopropan-2-yl)phenyl]piperazine-2,5-dione?
The canonical SMILES for 1-[2-(1-aminopropan-2-yl)phenyl]piperazine-2,5-dione is CC(CN)c1ccccc1N1CC(=O)NCC1=O.
What is the InChIKey of 1-[2-(1-aminopropan-2-yl)phenyl]piperazine-2,5-dione?
The InChIKey is AKZRPLJAZPVWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9(6-14)10-4-2-3-5-11(10)16-8-12(17)15-7-13(16)18/h2-5,9H,6-8,14H2,1H3,(H,15,17).
What are the key properties of 1-[2-(1-aminopropan-2-yl)phenyl]piperazine-2,5-dione?
1-[2-(1-aminopropan-2-yl)phenyl]piperazine-2,5-dione has a molecular weight of 247.30 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminopropan-2-yl)phenyl]piperazine-2,5-dione is sourced from PubChem (CID 117370677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).