1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid

C13H19N3O3 — CID 136740853

IUPAC1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid
SMILESCC(C)c1cc(=O)[nH]c(N2CCCCC2C(=O)O)n1
InChIInChI=1S/C13H19N3O3/c1-8(2)9-7-11(17)15-13(14-9)16-6-4-3-5-10(16)12(18)19/h7-8,10H,3-6H2,1-2H3,(H,18,19)(H,14,15,17)
InChIKeyCNYYJTRTYNQGHJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.34
Rot. Bonds3

About 1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid

1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid (PubChem CID 136740853) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid
PubChem CID136740853
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid
SMILESCC(C)c1cc(=O)[nH]c(N2CCCCC2C(=O)O)n1
InChIInChI=1S/C13H19N3O3/c1-8(2)9-7-11(17)15-13(14-9)16-6-4-3-5-10(16)12(18)19/h7-8,10H,3-6H2,1-2H3,(H,18,19)(H,14,15,17)
InChIKeyCNYYJTRTYNQGHJ-UHFFFAOYSA-N
XLogP1.34
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]piperidine-2-carboxylic acid
CID 136741440
1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-3-methylpiperidine-2-carboxylic acid
CID 107069117
2-(4-ethyl-6-oxo-2-piperidin-1-yl-1H-pyrimidin-3-ium-3-yl)acetic acid
CID 110277674
1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-4-methylpiperidine-2-carboxylic acid
CID 114421036
1-(4-Ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)piperidine-4-carboxylic acid
CID 135882627
1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid
CID 136219658
1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid
CID 136740825
1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid
CID 136740840
1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)piperidine-4-carboxylic acid
CID 136740857
1-(4-Oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)piperidine-2-carboxylic acid
CID 136740865
1-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]piperidine-2-carboxylic acid
CID 136740896
1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid
CID 136740917

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid (CID 136740853) is 1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid is CC(C)c1cc(=O)[nH]c(N2CCCCC2C(=O)O)n1.
What is the InChIKey of 1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid?
The InChIKey is CNYYJTRTYNQGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8(2)9-7-11(17)15-13(14-9)16-6-4-3-5-10(16)12(18)19/h7-8,10H,3-6H2,1-2H3,(H,18,19)(H,14,15,17).
What are the key properties of 1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid?
1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 136740853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).