4-ethyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid

C14H19N3O4 — CID 114427235

IUPAC4-ethyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)Cn2cccnc2=O)C(C(=O)O)C1
InChIInChI=1S/C14H19N3O4/c1-2-10-4-7-17(11(8-10)13(19)20)12(18)9-16-6-3-5-15-14(16)21/h3,5-6,10-11H,2,4,7-9H2,1H3,(H,19,20)
InChIKeyYIAJBUNJLOKBMC-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.35
Rot. Bonds4

About 4-ethyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid

4-ethyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid (PubChem CID 114427235) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-ethyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid
PubChem CID114427235
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name4-ethyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)Cn2cccnc2=O)C(C(=O)O)C1
InChIInChI=1S/C14H19N3O4/c1-2-10-4-7-17(11(8-10)13(19)20)12(18)9-16-6-3-5-15-14(16)21/h3,5-6,10-11H,2,4,7-9H2,1H3,(H,19,20)
InChIKeyYIAJBUNJLOKBMC-UHFFFAOYSA-N
XLogP0.35
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-ethyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid 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 4-ethyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid?
The IUPAC name of 4-ethyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid (CID 114427235) is 4-ethyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid is CCC1CCN(C(=O)Cn2cccnc2=O)C(C(=O)O)C1.
What is the InChIKey of 4-ethyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid?
The InChIKey is YIAJBUNJLOKBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-2-10-4-7-17(11(8-10)13(19)20)12(18)9-16-6-3-5-15-14(16)21/h3,5-6,10-11H,2,4,7-9H2,1H3,(H,19,20).
What are the key properties of 4-ethyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid?
4-ethyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 114427235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).