ethyl 1-(5-methylpyrimidin-2-yl)piperidine-3-carboxylate

C13H19N3O2 — CID 63205771

IUPACethyl 1-(5-methylpyrimidin-2-yl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2ncc(C)cn2)C1
InChIInChI=1S/C13H19N3O2/c1-3-18-12(17)11-5-4-6-16(9-11)13-14-7-10(2)8-15-13/h7-8,11H,3-6,9H2,1-2H3
InChIKeyMJWJXPJTQGSFKF-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.56
Rot. Bonds3

About ethyl 1-(5-methylpyrimidin-2-yl)piperidine-3-carboxylate

ethyl 1-(5-methylpyrimidin-2-yl)piperidine-3-carboxylate (PubChem CID 63205771) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is ethyl 1-(5-methylpyrimidin-2-yl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-methylpyrimidin-2-yl)piperidine-3-carboxylate
PubChem CID63205771
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Nameethyl 1-(5-methylpyrimidin-2-yl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2ncc(C)cn2)C1
InChIInChI=1S/C13H19N3O2/c1-3-18-12(17)11-5-4-6-16(9-11)13-14-7-10(2)8-15-13/h7-8,11H,3-6,9H2,1-2H3
InChIKeyMJWJXPJTQGSFKF-UHFFFAOYSA-N
XLogP1.56
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 1-(5-methylpyrimidin-2-yl)piperidine-3-carboxylate 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 ethyl 1-(5-methylpyrimidin-2-yl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(5-methylpyrimidin-2-yl)piperidine-3-carboxylate (CID 63205771) is ethyl 1-(5-methylpyrimidin-2-yl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(5-methylpyrimidin-2-yl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(5-methylpyrimidin-2-yl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(c2ncc(C)cn2)C1.
What is the InChIKey of ethyl 1-(5-methylpyrimidin-2-yl)piperidine-3-carboxylate?
The InChIKey is MJWJXPJTQGSFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-18-12(17)11-5-4-6-16(9-11)13-14-7-10(2)8-15-13/h7-8,11H,3-6,9H2,1-2H3.
What are the key properties of ethyl 1-(5-methylpyrimidin-2-yl)piperidine-3-carboxylate?
ethyl 1-(5-methylpyrimidin-2-yl)piperidine-3-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-methylpyrimidin-2-yl)piperidine-3-carboxylate is sourced from PubChem (CID 63205771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).