4-(2-anilinoacetyl)piperazine-2,6-dione

C12H13N3O3 — CID 66084598

IUPAC4-(2-anilinoacetyl)piperazine-2,6-dione
SMILESO=C1CN(C(=O)CNc2ccccc2)CC(=O)N1
InChIInChI=1S/C12H13N3O3/c16-10-7-15(8-11(17)14-10)12(18)6-13-9-4-2-1-3-5-9/h1-5,13H,6-8H2,(H,14,16,17)
InChIKeyGXWPZQQSFVUKNI-UHFFFAOYSA-N
MW247.25 g/mol
LogP-0.42
Rot. Bonds3

About 4-(2-anilinoacetyl)piperazine-2,6-dione

4-(2-anilinoacetyl)piperazine-2,6-dione (PubChem CID 66084598) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 4-(2-anilinoacetyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(2-anilinoacetyl)piperazine-2,6-dione
PubChem CID66084598
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name4-(2-anilinoacetyl)piperazine-2,6-dione
SMILESO=C1CN(C(=O)CNc2ccccc2)CC(=O)N1
InChIInChI=1S/C12H13N3O3/c16-10-7-15(8-11(17)14-10)12(18)6-13-9-4-2-1-3-5-9/h1-5,13H,6-8H2,(H,14,16,17)
InChIKeyGXWPZQQSFVUKNI-UHFFFAOYSA-N
XLogP-0.42
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 5-0.42
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

1-(2-anilinoacetyl)-1,4-diazepan-5-one
CID 63004979
2-anilino-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103812443
methyl 4-(2-anilinoacetyl)piperazine-1-carboxylate
CID 61042223
4-(2-benzylsulfanylacetyl)piperazine-2,6-dione
CID 66082954
2-anilino-1-(3-azaspiro[5.5]undecan-3-yl)ethanone;hydrochloride
CID 119768979
N-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]acetamide
CID 66084386
2-anilino-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 119734687
2-anilino-1-(4-phenylpiperidin-1-yl)ethanone;hydrochloride
CID 119703042
2-anilino-1-(2,2-dimethylthiomorpholin-4-yl)ethanone
CID 113267007
4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-2,6-dione
CID 79261626
4-(3,5-dioxopiperazin-1-yl)-4-oxobutanoic acid
CID 66083698
2-anilino-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
CID 119842954

Frequently Asked Questions

What is the IUPAC name of 4-(2-anilinoacetyl)piperazine-2,6-dione?
The IUPAC name of 4-(2-anilinoacetyl)piperazine-2,6-dione (CID 66084598) is 4-(2-anilinoacetyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(2-anilinoacetyl)piperazine-2,6-dione?
The canonical SMILES for 4-(2-anilinoacetyl)piperazine-2,6-dione is O=C1CN(C(=O)CNc2ccccc2)CC(=O)N1.
What is the InChIKey of 4-(2-anilinoacetyl)piperazine-2,6-dione?
The InChIKey is GXWPZQQSFVUKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c16-10-7-15(8-11(17)14-10)12(18)6-13-9-4-2-1-3-5-9/h1-5,13H,6-8H2,(H,14,16,17).
What are the key properties of 4-(2-anilinoacetyl)piperazine-2,6-dione?
4-(2-anilinoacetyl)piperazine-2,6-dione has a molecular weight of 247.25 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-anilinoacetyl)piperazine-2,6-dione is sourced from PubChem (CID 66084598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).