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

C14H17N3O3 — CID 104528971

IUPAC3-(4-acetyl-3-aminoanilino)-1-methylpiperidine-2,6-dione
SMILESCC(=O)c1ccc(NC2CCC(=O)N(C)C2=O)cc1N
InChIInChI=1S/C14H17N3O3/c1-8(18)10-4-3-9(7-11(10)15)16-12-5-6-13(19)17(2)14(12)20/h3-4,7,12,16H,5-6,15H2,1-2H3
InChIKeyDEWBPFCVDFJPML-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.03
Rot. Bonds3

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

3-(4-acetyl-3-aminoanilino)-1-methylpiperidine-2,6-dione (PubChem CID 104528971) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-(4-acetyl-3-aminoanilino)-1-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-acetyl-3-aminoanilino)-1-methylpiperidine-2,6-dione
PubChem CID104528971
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name3-(4-acetyl-3-aminoanilino)-1-methylpiperidine-2,6-dione
SMILESCC(=O)c1ccc(NC2CCC(=O)N(C)C2=O)cc1N
InChIInChI=1S/C14H17N3O3/c1-8(18)10-4-3-9(7-11(10)15)16-12-5-6-13(19)17(2)14(12)20/h3-4,7,12,16H,5-6,15H2,1-2H3
InChIKeyDEWBPFCVDFJPML-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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Frequently Asked Questions

What is the IUPAC name of 3-(4-acetyl-3-aminoanilino)-1-methylpiperidine-2,6-dione?
The IUPAC name of 3-(4-acetyl-3-aminoanilino)-1-methylpiperidine-2,6-dione (CID 104528971) is 3-(4-acetyl-3-aminoanilino)-1-methylpiperidine-2,6-dione.
What is the SMILES notation for 3-(4-acetyl-3-aminoanilino)-1-methylpiperidine-2,6-dione?
The canonical SMILES for 3-(4-acetyl-3-aminoanilino)-1-methylpiperidine-2,6-dione is CC(=O)c1ccc(NC2CCC(=O)N(C)C2=O)cc1N.
What is the InChIKey of 3-(4-acetyl-3-aminoanilino)-1-methylpiperidine-2,6-dione?
The InChIKey is DEWBPFCVDFJPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-8(18)10-4-3-9(7-11(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-(4-acetyl-3-aminoanilino)-1-methylpiperidine-2,6-dione?
3-(4-acetyl-3-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-(4-acetyl-3-aminoanilino)-1-methylpiperidine-2,6-dione is sourced from PubChem (CID 104528971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).