4-(3,5-dimethoxyphenyl)-3-ethylpiperidine-2,6-dione

C15H19NO4 — CID 79321452

IUPAC4-(3,5-dimethoxyphenyl)-3-ethylpiperidine-2,6-dione
SMILESCCC1C(=O)NC(=O)CC1c1cc(OC)cc(OC)c1
InChIInChI=1S/C15H19NO4/c1-4-12-13(8-14(17)16-15(12)18)9-5-10(19-2)7-11(6-9)20-3/h5-7,12-13H,4,8H2,1-3H3,(H,16,17,18)
InChIKeyOVSNRVZIBKBXPJ-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.86
Rot. Bonds4

About 4-(3,5-dimethoxyphenyl)-3-ethylpiperidine-2,6-dione

4-(3,5-dimethoxyphenyl)-3-ethylpiperidine-2,6-dione (PubChem CID 79321452) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-(3,5-dimethoxyphenyl)-3-ethylpiperidine-2,6-dione.

Molecular Properties

Compound Name4-(3,5-dimethoxyphenyl)-3-ethylpiperidine-2,6-dione
PubChem CID79321452
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name4-(3,5-dimethoxyphenyl)-3-ethylpiperidine-2,6-dione
SMILESCCC1C(=O)NC(=O)CC1c1cc(OC)cc(OC)c1
InChIInChI=1S/C15H19NO4/c1-4-12-13(8-14(17)16-15(12)18)9-5-10(19-2)7-11(6-9)20-3/h5-7,12-13H,4,8H2,1-3H3,(H,16,17,18)
InChIKeyOVSNRVZIBKBXPJ-UHFFFAOYSA-N
XLogP1.86
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxyphenyl)-3-ethylpiperidine-2,6-dione?
The IUPAC name of 4-(3,5-dimethoxyphenyl)-3-ethylpiperidine-2,6-dione (CID 79321452) is 4-(3,5-dimethoxyphenyl)-3-ethylpiperidine-2,6-dione.
What is the SMILES notation for 4-(3,5-dimethoxyphenyl)-3-ethylpiperidine-2,6-dione?
The canonical SMILES for 4-(3,5-dimethoxyphenyl)-3-ethylpiperidine-2,6-dione is CCC1C(=O)NC(=O)CC1c1cc(OC)cc(OC)c1.
What is the InChIKey of 4-(3,5-dimethoxyphenyl)-3-ethylpiperidine-2,6-dione?
The InChIKey is OVSNRVZIBKBXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-4-12-13(8-14(17)16-15(12)18)9-5-10(19-2)7-11(6-9)20-3/h5-7,12-13H,4,8H2,1-3H3,(H,16,17,18).
What are the key properties of 4-(3,5-dimethoxyphenyl)-3-ethylpiperidine-2,6-dione?
4-(3,5-dimethoxyphenyl)-3-ethylpiperidine-2,6-dione has a molecular weight of 277.32 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethoxyphenyl)-3-ethylpiperidine-2,6-dione is sourced from PubChem (CID 79321452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).