ethyl 1-(6-ethoxy-2-methylpyrimidin-4-yl)piperidine-4-carboxylate

C15H23N3O3 — CID 66334132

IUPACethyl 1-(6-ethoxy-2-methylpyrimidin-4-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cc(OCC)nc(C)n2)CC1
InChIInChI=1S/C15H23N3O3/c1-4-20-14-10-13(16-11(3)17-14)18-8-6-12(7-9-18)15(19)21-5-2/h10,12H,4-9H2,1-3H3
InChIKeyVAFSCTCZHUFVHE-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.96
Rot. Bonds5

About ethyl 1-(6-ethoxy-2-methylpyrimidin-4-yl)piperidine-4-carboxylate

ethyl 1-(6-ethoxy-2-methylpyrimidin-4-yl)piperidine-4-carboxylate (PubChem CID 66334132) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is ethyl 1-(6-ethoxy-2-methylpyrimidin-4-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6-ethoxy-2-methylpyrimidin-4-yl)piperidine-4-carboxylate
PubChem CID66334132
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nameethyl 1-(6-ethoxy-2-methylpyrimidin-4-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cc(OCC)nc(C)n2)CC1
InChIInChI=1S/C15H23N3O3/c1-4-20-14-10-13(16-11(3)17-14)18-8-6-12(7-9-18)15(19)21-5-2/h10,12H,4-9H2,1-3H3
InChIKeyVAFSCTCZHUFVHE-UHFFFAOYSA-N
XLogP1.96
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 1-(6-ethoxy-2-methylpyrimidin-4-yl)piperidine-4-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

1-(6-ethoxy-2-methylpyrimidin-4-yl)piperidin-4-amine
CID 66332707
ethyl 1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylate
CID 115612188
ethyl 1-(4-amino-2-pyridinyl)piperidine-4-carboxylate
CID 68568819
4-[3-(bromomethyl)pyrrolidin-1-yl]-6-ethoxy-2-methylpyrimidine
CID 80679971
ethyl 1-(3-oxo-2H-1,2,4-triazin-5-yl)piperidine-4-carboxylate
CID 9124455
ethyl 1-[6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 122281740
ethyl 1-[6-(4-methylphenoxy)pyrimidin-4-yl]piperidine-4-carboxylate
CID 42806339
2-[4-(6-ethoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanamine
CID 66333920
ethyl 1-(5-chloro-6-methyl-2-pyridinyl)piperidine-4-carboxylate
CID 170716467
6-amino-2-(4-ethoxycarbonylpiperidin-1-yl)quinoline-4-carboxylic acid
CID 50806111
[1-(6-ethoxy-2-methylpyrimidin-4-yl)-4-methylpiperidin-4-yl]methanamine
CID 107160328
ethyl 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylate
CID 66656004

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6-ethoxy-2-methylpyrimidin-4-yl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(6-ethoxy-2-methylpyrimidin-4-yl)piperidine-4-carboxylate (CID 66334132) is ethyl 1-(6-ethoxy-2-methylpyrimidin-4-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(6-ethoxy-2-methylpyrimidin-4-yl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(6-ethoxy-2-methylpyrimidin-4-yl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2cc(OCC)nc(C)n2)CC1.
What is the InChIKey of ethyl 1-(6-ethoxy-2-methylpyrimidin-4-yl)piperidine-4-carboxylate?
The InChIKey is VAFSCTCZHUFVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-20-14-10-13(16-11(3)17-14)18-8-6-12(7-9-18)15(19)21-5-2/h10,12H,4-9H2,1-3H3.
What are the key properties of ethyl 1-(6-ethoxy-2-methylpyrimidin-4-yl)piperidine-4-carboxylate?
ethyl 1-(6-ethoxy-2-methylpyrimidin-4-yl)piperidine-4-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6-ethoxy-2-methylpyrimidin-4-yl)piperidine-4-carboxylate is sourced from PubChem (CID 66334132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).