1-[4-(2-aminopropan-2-yl)phenyl]piperazine-2,5-dione

C13H17N3O2 — CID 117370686

IUPAC1-[4-(2-aminopropan-2-yl)phenyl]piperazine-2,5-dione
SMILESCC(C)(N)c1ccc(N2CC(=O)NCC2=O)cc1
InChIInChI=1S/C13H17N3O2/c1-13(2,14)9-3-5-10(6-4-9)16-8-11(17)15-7-12(16)18/h3-6H,7-8,14H2,1-2H3,(H,15,17)
InChIKeyLAWSRBOVZHRULC-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.34
Rot. Bonds2

About 1-[4-(2-aminopropan-2-yl)phenyl]piperazine-2,5-dione

1-[4-(2-aminopropan-2-yl)phenyl]piperazine-2,5-dione (PubChem CID 117370686) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-[4-(2-aminopropan-2-yl)phenyl]piperazine-2,5-dione.

Molecular Properties

Compound Name1-[4-(2-aminopropan-2-yl)phenyl]piperazine-2,5-dione
PubChem CID117370686
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-[4-(2-aminopropan-2-yl)phenyl]piperazine-2,5-dione
SMILESCC(C)(N)c1ccc(N2CC(=O)NCC2=O)cc1
InChIInChI=1S/C13H17N3O2/c1-13(2,14)9-3-5-10(6-4-9)16-8-11(17)15-7-12(16)18/h3-6H,7-8,14H2,1-2H3,(H,15,17)
InChIKeyLAWSRBOVZHRULC-UHFFFAOYSA-N
XLogP0.34
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)piperazine-2,5-dione
CID 64955202
1-(4-pyrrolidin-1-ylphenyl)piperazine-2,5-dione
CID 64955695
1-[4-(dimethylamino)phenyl]piperazine-2,5-dione
CID 64955126
1-(4-amino-3-chlorophenyl)piperazine-2,5-dione
CID 82513383
1-(3-amino-4-methylphenyl)piperazine-2,5-dione
CID 82512730
1-[2-chloro-4-(trifluoromethyl)phenyl]piperazine-2,5-dione
CID 64956068
1-[4-(1-aminocyclopentyl)phenyl]piperazine-2,5-dione
CID 117436005
1-[3-(2-amino-2-methylpropyl)phenyl]piperazine-2,5-dione
CID 117407702
1-(3-amino-4-fluorophenyl)piperazine-2,5-dione
CID 82512820
1-(3-aminophenyl)piperazine-2,5-dione
CID 82512416
1-[2-fluoro-5-(trifluoromethyl)phenyl]piperazine-2,5-dione
CID 64955693
1-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]piperazine-2,5-dione
CID 117436054

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminopropan-2-yl)phenyl]piperazine-2,5-dione?
The IUPAC name of 1-[4-(2-aminopropan-2-yl)phenyl]piperazine-2,5-dione (CID 117370686) is 1-[4-(2-aminopropan-2-yl)phenyl]piperazine-2,5-dione.
What is the SMILES notation for 1-[4-(2-aminopropan-2-yl)phenyl]piperazine-2,5-dione?
The canonical SMILES for 1-[4-(2-aminopropan-2-yl)phenyl]piperazine-2,5-dione is CC(C)(N)c1ccc(N2CC(=O)NCC2=O)cc1.
What is the InChIKey of 1-[4-(2-aminopropan-2-yl)phenyl]piperazine-2,5-dione?
The InChIKey is LAWSRBOVZHRULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-13(2,14)9-3-5-10(6-4-9)16-8-11(17)15-7-12(16)18/h3-6H,7-8,14H2,1-2H3,(H,15,17).
What are the key properties of 1-[4-(2-aminopropan-2-yl)phenyl]piperazine-2,5-dione?
1-[4-(2-aminopropan-2-yl)phenyl]piperazine-2,5-dione has a molecular weight of 247.30 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminopropan-2-yl)phenyl]piperazine-2,5-dione is sourced from PubChem (CID 117370686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).