4-ethyl-1-(2-methylpyrimidin-4-yl)piperidine-2-carboxylic acid

C13H19N3O2 — CID 114427599

IUPAC4-ethyl-1-(2-methylpyrimidin-4-yl)piperidine-2-carboxylic acid
SMILESCCC1CCN(c2ccnc(C)n2)C(C(=O)O)C1
InChIInChI=1S/C13H19N3O2/c1-3-10-5-7-16(11(8-10)13(17)18)12-4-6-14-9(2)15-12/h4,6,10-11H,3,5,7-8H2,1-2H3,(H,17,18)
InChIKeyPZIAHNZLDPQGKS-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.86
Rot. Bonds3

About 4-ethyl-1-(2-methylpyrimidin-4-yl)piperidine-2-carboxylic acid

4-ethyl-1-(2-methylpyrimidin-4-yl)piperidine-2-carboxylic acid (PubChem CID 114427599) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-ethyl-1-(2-methylpyrimidin-4-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(2-methylpyrimidin-4-yl)piperidine-2-carboxylic acid
PubChem CID114427599
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-ethyl-1-(2-methylpyrimidin-4-yl)piperidine-2-carboxylic acid
SMILESCCC1CCN(c2ccnc(C)n2)C(C(=O)O)C1
InChIInChI=1S/C13H19N3O2/c1-3-10-5-7-16(11(8-10)13(17)18)12-4-6-14-9(2)15-12/h4,6,10-11H,3,5,7-8H2,1-2H3,(H,17,18)
InChIKeyPZIAHNZLDPQGKS-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5,6-dimethylpyrazin-2-yl)-4-ethylpiperidine-2-carboxylic acid
CID 114474690
(2S)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586857
(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586856
4-ethyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-2-carboxylic acid
CID 114427477
1-(6-ethoxypyrimidin-4-yl)-4-ethylpiperidine-2-carboxylic acid
CID 114427497
4-ethyl-1-(4-propan-2-yloxypyrimidin-2-yl)piperidine-2-carboxylic acid
CID 114427636
4-ethyl-1-(5-nitro-2-pyridinyl)piperidine-2-carboxylic acid
CID 114427543
1-(3-carbamoyl-2-pyridinyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427498
4-ethyl-1-quinazolin-2-ylpiperidine-2-carboxylic acid
CID 114788663
4-ethyl-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperidine-2-carboxylic acid
CID 114427593
4-ethyl-1-(4-methyl-3-oxopyrazin-2-yl)piperidine-2-carboxylic acid
CID 114427626
1-(1,3-benzoxazol-2-yl)-4-ethylpiperidine-2-carboxylic acid
CID 114427658

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(2-methylpyrimidin-4-yl)piperidine-2-carboxylic acid?
The IUPAC name of 4-ethyl-1-(2-methylpyrimidin-4-yl)piperidine-2-carboxylic acid (CID 114427599) is 4-ethyl-1-(2-methylpyrimidin-4-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(2-methylpyrimidin-4-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(2-methylpyrimidin-4-yl)piperidine-2-carboxylic acid is CCC1CCN(c2ccnc(C)n2)C(C(=O)O)C1.
What is the InChIKey of 4-ethyl-1-(2-methylpyrimidin-4-yl)piperidine-2-carboxylic acid?
The InChIKey is PZIAHNZLDPQGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-10-5-7-16(11(8-10)13(17)18)12-4-6-14-9(2)15-12/h4,6,10-11H,3,5,7-8H2,1-2H3,(H,17,18).
What are the key properties of 4-ethyl-1-(2-methylpyrimidin-4-yl)piperidine-2-carboxylic acid?
4-ethyl-1-(2-methylpyrimidin-4-yl)piperidine-2-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(2-methylpyrimidin-4-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 114427599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).