5,5-diethyl-1-methyl-2-piperidin-1-ylpyrimidine-4,6-dione

C14H23N3O2 — CID 2042527

IUPAC5,5-diethyl-1-methyl-2-piperidin-1-ylpyrimidine-4,6-dione
SMILESCCC1(CC)C(=O)N=C(N2CCCCC2)N(C)C1=O
InChIInChI=1S/C14H23N3O2/c1-4-14(5-2)11(18)15-13(16(3)12(14)19)17-9-7-6-8-10-17/h4-10H2,1-3H3
InChIKeyHUBQGJZETQFWJL-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.63
Rot. Bonds2

About 5,5-diethyl-1-methyl-2-piperidin-1-ylpyrimidine-4,6-dione

5,5-diethyl-1-methyl-2-piperidin-1-ylpyrimidine-4,6-dione (PubChem CID 2042527) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5,5-diethyl-1-methyl-2-piperidin-1-ylpyrimidine-4,6-dione.

Molecular Properties

Compound Name5,5-diethyl-1-methyl-2-piperidin-1-ylpyrimidine-4,6-dione
PubChem CID2042527
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name5,5-diethyl-1-methyl-2-piperidin-1-ylpyrimidine-4,6-dione
SMILESCCC1(CC)C(=O)N=C(N2CCCCC2)N(C)C1=O
InChIInChI=1S/C14H23N3O2/c1-4-14(5-2)11(18)15-13(16(3)12(14)19)17-9-7-6-8-10-17/h4-10H2,1-3H3
InChIKeyHUBQGJZETQFWJL-UHFFFAOYSA-N
XLogP1.63
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5,5-diethyl-1-methyl-2-piperidin-1-ylpyrimidine-4,6-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 5,5-diethyl-1-methyl-2-piperidin-1-ylpyrimidine-4,6-dione?
The IUPAC name of 5,5-diethyl-1-methyl-2-piperidin-1-ylpyrimidine-4,6-dione (CID 2042527) is 5,5-diethyl-1-methyl-2-piperidin-1-ylpyrimidine-4,6-dione.
What is the SMILES notation for 5,5-diethyl-1-methyl-2-piperidin-1-ylpyrimidine-4,6-dione?
The canonical SMILES for 5,5-diethyl-1-methyl-2-piperidin-1-ylpyrimidine-4,6-dione is CCC1(CC)C(=O)N=C(N2CCCCC2)N(C)C1=O.
What is the InChIKey of 5,5-diethyl-1-methyl-2-piperidin-1-ylpyrimidine-4,6-dione?
The InChIKey is HUBQGJZETQFWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-14(5-2)11(18)15-13(16(3)12(14)19)17-9-7-6-8-10-17/h4-10H2,1-3H3.
What are the key properties of 5,5-diethyl-1-methyl-2-piperidin-1-ylpyrimidine-4,6-dione?
5,5-diethyl-1-methyl-2-piperidin-1-ylpyrimidine-4,6-dione has a molecular weight of 265.36 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1-methyl-2-piperidin-1-ylpyrimidine-4,6-dione is sourced from PubChem (CID 2042527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).