3,3-diethyl-5-(piperidin-1-ylmethyl)-1H-pyridine-2,4-dione

C15H24N2O2 — CID 3043579

IUPAC3,3-diethyl-5-(piperidin-1-ylmethyl)-1H-pyridine-2,4-dione
SMILESCCC1(CC)C(=O)NC=C(CN2CCCCC2)C1=O
InChIInChI=1S/C15H24N2O2/c1-3-15(4-2)13(18)12(10-16-14(15)19)11-17-8-6-5-7-9-17/h10H,3-9,11H2,1-2H3,(H,16,19)
InChIKeyUJRAOQWICDYDFV-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.86
Rot. Bonds4

About 3,3-diethyl-5-(piperidin-1-ylmethyl)-1H-pyridine-2,4-dione

3,3-diethyl-5-(piperidin-1-ylmethyl)-1H-pyridine-2,4-dione (PubChem CID 3043579) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3,3-diethyl-5-(piperidin-1-ylmethyl)-1H-pyridine-2,4-dione.

Molecular Properties

Compound Name3,3-diethyl-5-(piperidin-1-ylmethyl)-1H-pyridine-2,4-dione
PubChem CID3043579
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3,3-diethyl-5-(piperidin-1-ylmethyl)-1H-pyridine-2,4-dione
SMILESCCC1(CC)C(=O)NC=C(CN2CCCCC2)C1=O
InChIInChI=1S/C15H24N2O2/c1-3-15(4-2)13(18)12(10-16-14(15)19)11-17-8-6-5-7-9-17/h10H,3-9,11H2,1-2H3,(H,16,19)
InChIKeyUJRAOQWICDYDFV-UHFFFAOYSA-N
XLogP1.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,3-diethyl-5-(piperidin-1-ylmethyl)-1H-pyridine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-5-(piperidin-1-ylmethyl)-1H-pyridine-2,4-dione?
The IUPAC name of 3,3-diethyl-5-(piperidin-1-ylmethyl)-1H-pyridine-2,4-dione (CID 3043579) is 3,3-diethyl-5-(piperidin-1-ylmethyl)-1H-pyridine-2,4-dione.
What is the SMILES notation for 3,3-diethyl-5-(piperidin-1-ylmethyl)-1H-pyridine-2,4-dione?
The canonical SMILES for 3,3-diethyl-5-(piperidin-1-ylmethyl)-1H-pyridine-2,4-dione is CCC1(CC)C(=O)NC=C(CN2CCCCC2)C1=O.
What is the InChIKey of 3,3-diethyl-5-(piperidin-1-ylmethyl)-1H-pyridine-2,4-dione?
The InChIKey is UJRAOQWICDYDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-15(4-2)13(18)12(10-16-14(15)19)11-17-8-6-5-7-9-17/h10H,3-9,11H2,1-2H3,(H,16,19).
What are the key properties of 3,3-diethyl-5-(piperidin-1-ylmethyl)-1H-pyridine-2,4-dione?
3,3-diethyl-5-(piperidin-1-ylmethyl)-1H-pyridine-2,4-dione has a molecular weight of 264.37 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-5-(piperidin-1-ylmethyl)-1H-pyridine-2,4-dione is sourced from PubChem (CID 3043579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).