1-(2-methoxy-6-methylpyrimidin-4-yl)piperidine-3-carboxylic acid

C12H17N3O3 — CID 122051160

IUPAC1-(2-methoxy-6-methylpyrimidin-4-yl)piperidine-3-carboxylic acid
SMILESCOc1nc(C)cc(N2CCCC(C(=O)O)C2)n1
InChIInChI=1S/C12H17N3O3/c1-8-6-10(14-12(13-8)18-2)15-5-3-4-9(7-15)11(16)17/h6,9H,3-5,7H2,1-2H3,(H,16,17)
InChIKeyIKROQYDAEDWBON-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.09
Rot. Bonds3

About 1-(2-methoxy-6-methylpyrimidin-4-yl)piperidine-3-carboxylic acid

1-(2-methoxy-6-methylpyrimidin-4-yl)piperidine-3-carboxylic acid (PubChem CID 122051160) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-(2-methoxy-6-methylpyrimidin-4-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxy-6-methylpyrimidin-4-yl)piperidine-3-carboxylic acid
PubChem CID122051160
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1-(2-methoxy-6-methylpyrimidin-4-yl)piperidine-3-carboxylic acid
SMILESCOc1nc(C)cc(N2CCCC(C(=O)O)C2)n1
InChIInChI=1S/C12H17N3O3/c1-8-6-10(14-12(13-8)18-2)15-5-3-4-9(7-15)11(16)17/h6,9H,3-5,7H2,1-2H3,(H,16,17)
InChIKeyIKROQYDAEDWBON-UHFFFAOYSA-N
XLogP1.09
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-methoxy-6-methylpyrimidin-4-yl)piperidine-3-carboxylic acid 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-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 112634329
1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 56767515
1-(6-chloro-2-methylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 121204774
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethanone
CID 63846335
1-[6-(methoxymethyl)-2-methylpyrimidin-4-yl]piperidine-3-carboxylic acid
CID 110277709
(3R)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136914110
1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 56767522
1-(2-cyano-6-methyl-4-pyridinyl)piperidine-3-carboxylic acid
CID 122051050
1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]pyrrolidine-3-carboxylic acid
CID 122048519
1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidine-3-carboxylic acid
CID 56771463
methyl 1-(2,6-dimethyl-4-pyridinyl)piperidine-3-carboxylate
CID 114272253
1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid
CID 82537806

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-6-methylpyrimidin-4-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-methoxy-6-methylpyrimidin-4-yl)piperidine-3-carboxylic acid (CID 122051160) is 1-(2-methoxy-6-methylpyrimidin-4-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methoxy-6-methylpyrimidin-4-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-methoxy-6-methylpyrimidin-4-yl)piperidine-3-carboxylic acid is COc1nc(C)cc(N2CCCC(C(=O)O)C2)n1.
What is the InChIKey of 1-(2-methoxy-6-methylpyrimidin-4-yl)piperidine-3-carboxylic acid?
The InChIKey is IKROQYDAEDWBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8-6-10(14-12(13-8)18-2)15-5-3-4-9(7-15)11(16)17/h6,9H,3-5,7H2,1-2H3,(H,16,17).
What are the key properties of 1-(2-methoxy-6-methylpyrimidin-4-yl)piperidine-3-carboxylic acid?
1-(2-methoxy-6-methylpyrimidin-4-yl)piperidine-3-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-6-methylpyrimidin-4-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122051160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).