6-(3-aminophenyl)-1-ethylpiperidine-2,5-dione

C13H16N2O2 — CID 105490911

IUPAC6-(3-aminophenyl)-1-ethylpiperidine-2,5-dione
SMILESCCN1C(=O)CCC(=O)C1c1cccc(N)c1
InChIInChI=1S/C13H16N2O2/c1-2-15-12(17)7-6-11(16)13(15)9-4-3-5-10(14)8-9/h3-5,8,13H,2,6-7,14H2,1H3
InChIKeyLMPWKWMPCAYBCU-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.52
Rot. Bonds2

About 6-(3-aminophenyl)-1-ethylpiperidine-2,5-dione

6-(3-aminophenyl)-1-ethylpiperidine-2,5-dione (PubChem CID 105490911) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 6-(3-aminophenyl)-1-ethylpiperidine-2,5-dione.

Molecular Properties

Compound Name6-(3-aminophenyl)-1-ethylpiperidine-2,5-dione
PubChem CID105490911
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name6-(3-aminophenyl)-1-ethylpiperidine-2,5-dione
SMILESCCN1C(=O)CCC(=O)C1c1cccc(N)c1
InChIInChI=1S/C13H16N2O2/c1-2-15-12(17)7-6-11(16)13(15)9-4-3-5-10(14)8-9/h3-5,8,13H,2,6-7,14H2,1H3
InChIKeyLMPWKWMPCAYBCU-UHFFFAOYSA-N
XLogP1.52
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminophenyl)-1-ethylpiperidine-2,5-dione?
The IUPAC name of 6-(3-aminophenyl)-1-ethylpiperidine-2,5-dione (CID 105490911) is 6-(3-aminophenyl)-1-ethylpiperidine-2,5-dione.
What is the SMILES notation for 6-(3-aminophenyl)-1-ethylpiperidine-2,5-dione?
The canonical SMILES for 6-(3-aminophenyl)-1-ethylpiperidine-2,5-dione is CCN1C(=O)CCC(=O)C1c1cccc(N)c1.
What is the InChIKey of 6-(3-aminophenyl)-1-ethylpiperidine-2,5-dione?
The InChIKey is LMPWKWMPCAYBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-15-12(17)7-6-11(16)13(15)9-4-3-5-10(14)8-9/h3-5,8,13H,2,6-7,14H2,1H3.
What are the key properties of 6-(3-aminophenyl)-1-ethylpiperidine-2,5-dione?
6-(3-aminophenyl)-1-ethylpiperidine-2,5-dione has a molecular weight of 232.28 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminophenyl)-1-ethylpiperidine-2,5-dione is sourced from PubChem (CID 105490911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).