5-methyl-1-[2-oxo-2-(3-propoxypiperidin-1-yl)ethyl]pyrimidine-2,4-dione

C15H23N3O4 — CID 56719326

IUPAC5-methyl-1-[2-oxo-2-(3-propoxypiperidin-1-yl)ethyl]pyrimidine-2,4-dione
SMILESCCCOC1CCCN(C(=O)Cn2cc(C)c(=O)[nH]c2=O)C1
InChIInChI=1S/C15H23N3O4/c1-3-7-22-12-5-4-6-17(9-12)13(19)10-18-8-11(2)14(20)16-15(18)21/h8,12H,3-7,9-10H2,1-2H3,(H,16,20,21)
InChIKeyOAAGGBKUFRNYKX-UHFFFAOYSA-N
MW309.37 g/mol
LogP0.26
Rot. Bonds5

About 5-methyl-1-[2-oxo-2-(3-propoxypiperidin-1-yl)ethyl]pyrimidine-2,4-dione

5-methyl-1-[2-oxo-2-(3-propoxypiperidin-1-yl)ethyl]pyrimidine-2,4-dione (PubChem CID 56719326) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-methyl-1-[2-oxo-2-(3-propoxypiperidin-1-yl)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[2-oxo-2-(3-propoxypiperidin-1-yl)ethyl]pyrimidine-2,4-dione
PubChem CID56719326
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name5-methyl-1-[2-oxo-2-(3-propoxypiperidin-1-yl)ethyl]pyrimidine-2,4-dione
SMILESCCCOC1CCCN(C(=O)Cn2cc(C)c(=O)[nH]c2=O)C1
InChIInChI=1S/C15H23N3O4/c1-3-7-22-12-5-4-6-17(9-12)13(19)10-18-8-11(2)14(20)16-15(18)21/h8,12H,3-7,9-10H2,1-2H3,(H,16,20,21)
InChIKeyOAAGGBKUFRNYKX-UHFFFAOYSA-N
XLogP0.26
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methyl-1-[2-oxo-2-(3-propoxypiperidin-1-yl)ethyl]pyrimidine-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 5-methyl-1-[2-oxo-2-(3-propoxypiperidin-1-yl)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[2-oxo-2-(3-propoxypiperidin-1-yl)ethyl]pyrimidine-2,4-dione (CID 56719326) is 5-methyl-1-[2-oxo-2-(3-propoxypiperidin-1-yl)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[2-oxo-2-(3-propoxypiperidin-1-yl)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[2-oxo-2-(3-propoxypiperidin-1-yl)ethyl]pyrimidine-2,4-dione is CCCOC1CCCN(C(=O)Cn2cc(C)c(=O)[nH]c2=O)C1.
What is the InChIKey of 5-methyl-1-[2-oxo-2-(3-propoxypiperidin-1-yl)ethyl]pyrimidine-2,4-dione?
The InChIKey is OAAGGBKUFRNYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-3-7-22-12-5-4-6-17(9-12)13(19)10-18-8-11(2)14(20)16-15(18)21/h8,12H,3-7,9-10H2,1-2H3,(H,16,20,21).
What are the key properties of 5-methyl-1-[2-oxo-2-(3-propoxypiperidin-1-yl)ethyl]pyrimidine-2,4-dione?
5-methyl-1-[2-oxo-2-(3-propoxypiperidin-1-yl)ethyl]pyrimidine-2,4-dione has a molecular weight of 309.37 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-oxo-2-(3-propoxypiperidin-1-yl)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 56719326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).