ethyl 1-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]piperidine-4-carboxylate

C14H21N3O4 — CID 136780341

IUPACethyl 1-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nc(COC)cc(=O)[nH]2)CC1
InChIInChI=1S/C14H21N3O4/c1-3-21-13(19)10-4-6-17(7-5-10)14-15-11(9-20-2)8-12(18)16-14/h8,10H,3-7,9H2,1-2H3,(H,15,16,18)
InChIKeyPDBXUNNZPOFNFM-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.70
Rot. Bonds5

About ethyl 1-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]piperidine-4-carboxylate

ethyl 1-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]piperidine-4-carboxylate (PubChem CID 136780341) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is ethyl 1-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]piperidine-4-carboxylate
PubChem CID136780341
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Nameethyl 1-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nc(COC)cc(=O)[nH]2)CC1
InChIInChI=1S/C14H21N3O4/c1-3-21-13(19)10-4-6-17(7-5-10)14-15-11(9-20-2)8-12(18)16-14/h8,10H,3-7,9H2,1-2H3,(H,15,16,18)
InChIKeyPDBXUNNZPOFNFM-UHFFFAOYSA-N
XLogP0.70
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-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

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]piperidine-4-carboxylate (CID 136780341) is ethyl 1-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2nc(COC)cc(=O)[nH]2)CC1.
What is the InChIKey of ethyl 1-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]piperidine-4-carboxylate?
The InChIKey is PDBXUNNZPOFNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-3-21-13(19)10-4-6-17(7-5-10)14-15-11(9-20-2)8-12(18)16-14/h8,10H,3-7,9H2,1-2H3,(H,15,16,18).
What are the key properties of ethyl 1-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]piperidine-4-carboxylate?
ethyl 1-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]piperidine-4-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]piperidine-4-carboxylate is sourced from PubChem (CID 136780341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).