1-(6-carbamoyl-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid

C11H13FN4O3 — CID 162376581

IUPAC1-(6-carbamoyl-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESNC(=O)c1ncnc(N2CCC(C(=O)O)CC2)c1F
InChIInChI=1S/C11H13FN4O3/c12-7-8(9(13)17)14-5-15-10(7)16-3-1-6(2-4-16)11(18)19/h5-6H,1-4H2,(H2,13,17)(H,18,19)
InChIKeyRGFAIGLUAOLIHR-UHFFFAOYSA-N
MW268.25 g/mol
LogP0.02
Rot. Bonds3

About 1-(6-carbamoyl-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid

1-(6-carbamoyl-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid (PubChem CID 162376581) has the molecular formula C11H13FN4O3 and a molecular weight of 268.25 g/mol. Its IUPAC name is 1-(6-carbamoyl-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(6-carbamoyl-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid
PubChem CID162376581
Molecular FormulaC11H13FN4O3
Molecular Weight268.25 g/mol
Exact Mass268.10
IUPAC Name1-(6-carbamoyl-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESNC(=O)c1ncnc(N2CCC(C(=O)O)CC2)c1F
InChIInChI=1S/C11H13FN4O3/c12-7-8(9(13)17)14-5-15-10(7)16-3-1-6(2-4-16)11(18)19/h5-6H,1-4H2,(H2,13,17)(H,18,19)
InChIKeyRGFAIGLUAOLIHR-UHFFFAOYSA-N
XLogP0.02
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-Amino-1-(5-fluoro-6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid
CID 123962301
1-(4-Carbamoyl-5-fluoropyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid
CID 162376264
(3S,4S)-1-(4-carbamoyl-5-methylpyrimidin-2-yl)-3-fluoropiperidine-4-carboxylic acid
CID 162376291
1-(4-Carbamoylpyrimidin-2-yl)-3,3,4-trifluoropiperidine-4-carboxylic acid
CID 162376350
Methyl 1-(4-carbamoyl-5-fluoropyrimidin-2-yl)-4-fluoropiperidine-4-carboxylate
CID 162376575
1-(4-Carbamoyl-5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid
CID 162376585
1-(4-Carbamoyl-5-methylpyrimidin-2-yl)-3-fluoropiperidine-4-carboxylic acid
CID 162376615
Methyl 1-(4-carbamoyl-5-methylpyrimidin-2-yl)-3-fluoropiperidine-4-carboxylate
CID 168839036
1-(6-Carbamoylpyrimidin-4-yl)piperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid
CID 169724648
1-(4-Carbamoylpyrimidin-2-yl)piperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid
CID 175877467
1-(4-Carbamoyl-5-methylpyrimidin-2-yl)piperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid
CID 175877491
1-(5-Fluoro-6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid
CID 108150602

Frequently Asked Questions

What is the IUPAC name of 1-(6-carbamoyl-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(6-carbamoyl-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid (CID 162376581) is 1-(6-carbamoyl-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(6-carbamoyl-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(6-carbamoyl-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid is NC(=O)c1ncnc(N2CCC(C(=O)O)CC2)c1F.
What is the InChIKey of 1-(6-carbamoyl-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid?
The InChIKey is RGFAIGLUAOLIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O3/c12-7-8(9(13)17)14-5-15-10(7)16-3-1-6(2-4-16)11(18)19/h5-6H,1-4H2,(H2,13,17)(H,18,19).
What are the key properties of 1-(6-carbamoyl-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid?
1-(6-carbamoyl-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid has a molecular weight of 268.25 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-carbamoyl-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 162376581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).