3-(3-acetyl-4-aminoanilino)-1-methylpiperidine-2,6-dione

C14H17N3O3 — CID 104612940

IUPAC3-(3-acetyl-4-aminoanilino)-1-methylpiperidine-2,6-dione
SMILESCC(=O)c1cc(NC2CCC(=O)N(C)C2=O)ccc1N
InChIInChI=1S/C14H17N3O3/c1-8(18)10-7-9(3-4-11(10)15)16-12-5-6-13(19)17(2)14(12)20/h3-4,7,12,16H,5-6,15H2,1-2H3
InChIKeyUMNYSQGFHXXJGF-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.03
Rot. Bonds3

About 3-(3-acetyl-4-aminoanilino)-1-methylpiperidine-2,6-dione

3-(3-acetyl-4-aminoanilino)-1-methylpiperidine-2,6-dione (PubChem CID 104612940) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-(3-acetyl-4-aminoanilino)-1-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-(3-acetyl-4-aminoanilino)-1-methylpiperidine-2,6-dione
PubChem CID104612940
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name3-(3-acetyl-4-aminoanilino)-1-methylpiperidine-2,6-dione
SMILESCC(=O)c1cc(NC2CCC(=O)N(C)C2=O)ccc1N
InChIInChI=1S/C14H17N3O3/c1-8(18)10-7-9(3-4-11(10)15)16-12-5-6-13(19)17(2)14(12)20/h3-4,7,12,16H,5-6,15H2,1-2H3
InChIKeyUMNYSQGFHXXJGF-UHFFFAOYSA-N
XLogP1.03
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(4-acetyl-3-aminoanilino)-1-methylpiperidine-2,6-dione
CID 104528971
2-amino-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide
CID 114165297
1-[2-amino-5-(oxolan-3-ylamino)phenyl]ethanone
CID 104613018
5-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyridine-2-carboxylic acid
CID 113435928
1-[2-amino-5-[(2-methylcycloheptyl)amino]phenyl]ethanone
CID 104612930
1-[2-amino-5-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)phenyl]ethanone
CID 104612560
1-[2-amino-5-(1-cyclopentylethylamino)phenyl]ethanone
CID 104612853
3-(2-amino-6-fluoroanilino)-1-methylpiperidine-2,6-dione
CID 112740504
3-(3-hydrazinyl-5-nitroanilino)-1-methylpiperidine-2,6-dione
CID 80924745
1-[2-amino-5-[(3,3-dimethylcyclohexyl)amino]phenyl]ethanone
CID 104613034
3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
CID 80924688
1-methyl-3-[3-(methylamino)-5-nitroanilino]piperidine-2,6-dione
CID 80832510

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetyl-4-aminoanilino)-1-methylpiperidine-2,6-dione?
The IUPAC name of 3-(3-acetyl-4-aminoanilino)-1-methylpiperidine-2,6-dione (CID 104612940) is 3-(3-acetyl-4-aminoanilino)-1-methylpiperidine-2,6-dione.
What is the SMILES notation for 3-(3-acetyl-4-aminoanilino)-1-methylpiperidine-2,6-dione?
The canonical SMILES for 3-(3-acetyl-4-aminoanilino)-1-methylpiperidine-2,6-dione is CC(=O)c1cc(NC2CCC(=O)N(C)C2=O)ccc1N.
What is the InChIKey of 3-(3-acetyl-4-aminoanilino)-1-methylpiperidine-2,6-dione?
The InChIKey is UMNYSQGFHXXJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-8(18)10-7-9(3-4-11(10)15)16-12-5-6-13(19)17(2)14(12)20/h3-4,7,12,16H,5-6,15H2,1-2H3.
What are the key properties of 3-(3-acetyl-4-aminoanilino)-1-methylpiperidine-2,6-dione?
3-(3-acetyl-4-aminoanilino)-1-methylpiperidine-2,6-dione has a molecular weight of 275.31 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetyl-4-aminoanilino)-1-methylpiperidine-2,6-dione is sourced from PubChem (CID 104612940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).