methyl 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate

C11H15N3O3 — CID 137007704

IUPACmethyl 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1c1cc(=O)[nH]cn1
InChIInChI=1S/C11H15N3O3/c1-17-11(16)8-4-2-3-5-14(8)9-6-10(15)13-7-12-9/h6-8H,2-5H2,1H3,(H,12,13,15)
InChIKeyCILACWFGPGBCQJ-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.30
Rot. Bonds2

About methyl 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate

methyl 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate (PubChem CID 137007704) 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-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate
PubChem CID137007704
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Namemethyl 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1c1cc(=O)[nH]cn1
InChIInChI=1S/C11H15N3O3/c1-17-11(16)8-4-2-3-5-14(8)9-6-10(15)13-7-12-9/h6-8H,2-5H2,1H3,(H,12,13,15)
InChIKeyCILACWFGPGBCQJ-UHFFFAOYSA-N
XLogP0.30
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 ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-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

3,3-dimethyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136689831
3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136896343
1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136958329
1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136958331
2-[(6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136958439
2-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136972390
4-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136972428
methyl 2-[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate
CID 136989671
methyl 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate
CID 136989701
methyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate
CID 136989702
methyl 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate
CID 136989703
methyl 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate
CID 136989704

Frequently Asked Questions

What is the IUPAC name of methyl 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate (CID 137007704) is methyl 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate is COC(=O)C1CCCCN1c1cc(=O)[nH]cn1.
What is the InChIKey of methyl 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate?
The InChIKey is CILACWFGPGBCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-17-11(16)8-4-2-3-5-14(8)9-6-10(15)13-7-12-9/h6-8H,2-5H2,1H3,(H,12,13,15).
What are the key properties of methyl 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate?
methyl 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate has a molecular weight of 237.26 g/mol, XLogP of 0.30, 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-2-carboxylate is sourced from PubChem (CID 137007704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).