ethane;3-(3-ethylanilino)piperidine-2,6-dione

C15H22N2O2 — CID 170586483

IUPACethane;3-(3-ethylanilino)piperidine-2,6-dione
SMILESCC.CCc1cccc(NC2CCC(=O)NC2=O)c1
InChIInChI=1S/C13H16N2O2.C2H6/c1-2-9-4-3-5-10(8-9)14-11-6-7-12(16)15-13(11)17;1-2/h3-5,8,11,14H,2,6-7H2,1H3,(H,15,16,17);1-2H3
InChIKeySZMJDLAAIJRBIJ-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.49
Rot. Bonds3

About ethane;3-(3-ethylanilino)piperidine-2,6-dione

ethane;3-(3-ethylanilino)piperidine-2,6-dione (PubChem CID 170586483) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is ethane;3-(3-ethylanilino)piperidine-2,6-dione.

Molecular Properties

Compound Nameethane;3-(3-ethylanilino)piperidine-2,6-dione
PubChem CID170586483
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nameethane;3-(3-ethylanilino)piperidine-2,6-dione
SMILESCC.CCc1cccc(NC2CCC(=O)NC2=O)c1
InChIInChI=1S/C13H16N2O2.C2H6/c1-2-9-4-3-5-10(8-9)14-11-6-7-12(16)15-13(11)17;1-2/h3-5,8,11,14H,2,6-7H2,1H3,(H,15,16,17);1-2H3
InChIKeySZMJDLAAIJRBIJ-UHFFFAOYSA-N
XLogP2.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;3-(3-ethylanilino)piperidine-2,6-dione?
The IUPAC name of ethane;3-(3-ethylanilino)piperidine-2,6-dione (CID 170586483) is ethane;3-(3-ethylanilino)piperidine-2,6-dione.
What is the SMILES notation for ethane;3-(3-ethylanilino)piperidine-2,6-dione?
The canonical SMILES for ethane;3-(3-ethylanilino)piperidine-2,6-dione is CC.CCc1cccc(NC2CCC(=O)NC2=O)c1.
What is the InChIKey of ethane;3-(3-ethylanilino)piperidine-2,6-dione?
The InChIKey is SZMJDLAAIJRBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2.C2H6/c1-2-9-4-3-5-10(8-9)14-11-6-7-12(16)15-13(11)17;1-2/h3-5,8,11,14H,2,6-7H2,1H3,(H,15,16,17);1-2H3.
What are the key properties of ethane;3-(3-ethylanilino)piperidine-2,6-dione?
ethane;3-(3-ethylanilino)piperidine-2,6-dione has a molecular weight of 262.35 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(3-ethylanilino)piperidine-2,6-dione is sourced from PubChem (CID 170586483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).