methyl 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylate

C11H15N3O3 — CID 137007709

IUPACmethyl 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C11H15N3O3/c1-17-11(16)8-3-2-4-14(6-8)9-5-10(15)13-7-12-9/h5,7-8H,2-4,6H2,1H3,(H,12,13,15)
InChIKeyQEFYUSNMZSHKNF-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.16
Rot. Bonds2

About methyl 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylate

methyl 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylate (PubChem CID 137007709) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is methyl 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylate
PubChem CID137007709
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Namemethyl 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C11H15N3O3/c1-17-11(16)8-3-2-4-14(6-8)9-5-10(15)13-7-12-9/h5,7-8H,2-4,6H2,1H3,(H,12,13,15)
InChIKeyQEFYUSNMZSHKNF-UHFFFAOYSA-N
XLogP0.16
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 1-(6-oxo-1H-pyrimidin-4-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 methyl 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylate (CID 137007709) is methyl 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylate is COC(=O)C1CCCN(c2cc(=O)[nH]cn2)C1.
What is the InChIKey of methyl 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylate?
The InChIKey is QEFYUSNMZSHKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-17-11(16)8-3-2-4-14(6-8)9-5-10(15)13-7-12-9/h5,7-8H,2-4,6H2,1H3,(H,12,13,15).
What are the key properties of methyl 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylate?
methyl 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylate has a molecular weight of 237.26 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylate is sourced from PubChem (CID 137007709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).