1-ethyl-5-methylpiperidine-2,4-dione

C8H13NO2 — CID 14800179

IUPAC1-ethyl-5-methylpiperidine-2,4-dione
SMILESCCN1CC(C)C(=O)CC1=O
InChIInChI=1S/C8H13NO2/c1-3-9-5-6(2)7(10)4-8(9)11/h6H,3-5H2,1-2H3
InChIKeyRLBLBEYGKCDKQZ-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.44
Rot. Bonds1

About 1-ethyl-5-methylpiperidine-2,4-dione

1-ethyl-5-methylpiperidine-2,4-dione (PubChem CID 14800179) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-ethyl-5-methylpiperidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-5-methylpiperidine-2,4-dione
PubChem CID14800179
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1-ethyl-5-methylpiperidine-2,4-dione
SMILESCCN1CC(C)C(=O)CC1=O
InChIInChI=1S/C8H13NO2/c1-3-9-5-6(2)7(10)4-8(9)11/h6H,3-5H2,1-2H3
InChIKeyRLBLBEYGKCDKQZ-UHFFFAOYSA-N
XLogP0.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-4,5-dimethylpiperazin-2-one
CID 156824665
(5R)-4-tert-butyl-1-ethyl-5-methylpiperazin-2-one
CID 168820502
1-ethyl-4-propan-2-ylpyrrolidin-2-one
CID 122470396
(4R)-1-ethyl-3,4-dimethylimidazolidin-2-one
CID 178098960
3-ethyl-9-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 557465
(3S)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 40586169
(3R)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 40586168
(5R)-1-ethyl-5-methoxypiperidin-2-one
CID 170617785
1-ethyl-5-propan-2-ylpiperazin-2-one
CID 44630618
1-ethyl-4-(3-hydroxybutyl)-5-methylpiperazin-2-one
CID 112546859
1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122124059
3-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
CID 122016506

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methylpiperidine-2,4-dione?
The IUPAC name of 1-ethyl-5-methylpiperidine-2,4-dione (CID 14800179) is 1-ethyl-5-methylpiperidine-2,4-dione.
What is the SMILES notation for 1-ethyl-5-methylpiperidine-2,4-dione?
The canonical SMILES for 1-ethyl-5-methylpiperidine-2,4-dione is CCN1CC(C)C(=O)CC1=O.
What is the InChIKey of 1-ethyl-5-methylpiperidine-2,4-dione?
The InChIKey is RLBLBEYGKCDKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-9-5-6(2)7(10)4-8(9)11/h6H,3-5H2,1-2H3.
What are the key properties of 1-ethyl-5-methylpiperidine-2,4-dione?
1-ethyl-5-methylpiperidine-2,4-dione has a molecular weight of 155.20 g/mol, XLogP of 0.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methylpiperidine-2,4-dione is sourced from PubChem (CID 14800179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).