4-ethyl-1-(6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid

C13H19N3O2 — CID 63125900

IUPAC4-ethyl-1-(6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2cc(C)ncn2)CC1
InChIInChI=1S/C13H19N3O2/c1-3-13(12(17)18)4-6-16(7-5-13)11-8-10(2)14-9-15-11/h8-9H,3-7H2,1-2H3,(H,17,18)
InChIKeyQGJZAAIOPNOQGY-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.87
Rot. Bonds3

About 4-ethyl-1-(6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid

4-ethyl-1-(6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid (PubChem CID 63125900) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-ethyl-1-(6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid
PubChem CID63125900
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-ethyl-1-(6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2cc(C)ncn2)CC1
InChIInChI=1S/C13H19N3O2/c1-3-13(12(17)18)4-6-16(7-5-13)11-8-10(2)14-9-15-11/h8-9H,3-7H2,1-2H3,(H,17,18)
InChIKeyQGJZAAIOPNOQGY-UHFFFAOYSA-N
XLogP1.87
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 136958851
1-(4-cyano-2-pyridinyl)-4-ethylpiperidine-4-carboxylic acid
CID 63125819
4-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 115973034
4-ethyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 102685971
1-(4,6-dimethylpyrimidin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63146887
4-ethyl-1-(2-methylpyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 106752604
1-(5-borono-2-pyridinyl)-4-ethylpiperidine-4-carboxylic acid
CID 140872513
3-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-ol
CID 103725125
3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]propanoic acid
CID 62218201
(3S,4S)-4-benzyl-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid
CID 162629508
1-(5-bromo-1,3-thiazol-2-yl)-4-ethylpiperidine-4-carboxylic acid
CID 66981361
1-(4-cyano-6-methylpyrimidin-2-yl)-4-ethylpiperidine-4-carboxylic acid
CID 107542962

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-(6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid (CID 63125900) is 4-ethyl-1-(6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(c2cc(C)ncn2)CC1.
What is the InChIKey of 4-ethyl-1-(6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid?
The InChIKey is QGJZAAIOPNOQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-13(12(17)18)4-6-16(7-5-13)11-8-10(2)14-9-15-11/h8-9H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 4-ethyl-1-(6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid?
4-ethyl-1-(6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 63125900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).