5-methyl-1-(5-methylpyrimidin-2-yl)piperidine-3-carboxylic acid

C12H17N3O2 — CID 122106606

IUPAC5-methyl-1-(5-methylpyrimidin-2-yl)piperidine-3-carboxylic acid
SMILESCc1cnc(N2CC(C)CC(C(=O)O)C2)nc1
InChIInChI=1S/C12H17N3O2/c1-8-3-10(11(16)17)7-15(6-8)12-13-4-9(2)5-14-12/h4-5,8,10H,3,6-7H2,1-2H3,(H,16,17)
InChIKeyCVCRSGLEPJIFFN-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.33
Rot. Bonds2

About 5-methyl-1-(5-methylpyrimidin-2-yl)piperidine-3-carboxylic acid

5-methyl-1-(5-methylpyrimidin-2-yl)piperidine-3-carboxylic acid (PubChem CID 122106606) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-methyl-1-(5-methylpyrimidin-2-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-(5-methylpyrimidin-2-yl)piperidine-3-carboxylic acid
PubChem CID122106606
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name5-methyl-1-(5-methylpyrimidin-2-yl)piperidine-3-carboxylic acid
SMILESCc1cnc(N2CC(C)CC(C(=O)O)C2)nc1
InChIInChI=1S/C12H17N3O2/c1-8-3-10(11(16)17)7-15(6-8)12-13-4-9(2)5-14-12/h4-5,8,10H,3,6-7H2,1-2H3,(H,16,17)
InChIKeyCVCRSGLEPJIFFN-UHFFFAOYSA-N
XLogP1.33
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromopyrimidin-2-yl)-5-methylpiperidine-3-carboxylic acid
CID 122106508
1-(4,5-dimethylpyrimidin-2-yl)-5-methylpiperidine-3-carboxylic acid
CID 122106616
1-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methylpiperidine-3-carboxylic acid
CID 122106469
2-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]propanoic acid
CID 116681869
5-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 122106917
5-methyl-1-(5-nitro-1,3-thiazol-2-yl)piperidine-3-carboxylic acid
CID 122106877
5-methyl-1-(5-sulfamoyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid
CID 122106742
1-(5-ethoxycarbonylpyrimidin-2-yl)azetidine-3-carboxylic acid
CID 176954225
1-(3-bromo-4-methyl-5-nitro-2-pyridinyl)-5-methylpiperidine-3-carboxylic acid
CID 122106600
5-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxylic acid
CID 122106801
1-(3-cyano-6-methylquinolin-4-yl)-5-methylpiperidine-3-carboxylic acid
CID 122106466
5-methyl-1-(4-phenylmethoxypyrimidin-2-yl)piperidine-3-carboxylic acid
CID 122106617

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(5-methylpyrimidin-2-yl)piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-(5-methylpyrimidin-2-yl)piperidine-3-carboxylic acid (CID 122106606) is 5-methyl-1-(5-methylpyrimidin-2-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-(5-methylpyrimidin-2-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-(5-methylpyrimidin-2-yl)piperidine-3-carboxylic acid is Cc1cnc(N2CC(C)CC(C(=O)O)C2)nc1.
What is the InChIKey of 5-methyl-1-(5-methylpyrimidin-2-yl)piperidine-3-carboxylic acid?
The InChIKey is CVCRSGLEPJIFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-3-10(11(16)17)7-15(6-8)12-13-4-9(2)5-14-12/h4-5,8,10H,3,6-7H2,1-2H3,(H,16,17).
What are the key properties of 5-methyl-1-(5-methylpyrimidin-2-yl)piperidine-3-carboxylic acid?
5-methyl-1-(5-methylpyrimidin-2-yl)piperidine-3-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(5-methylpyrimidin-2-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122106606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).