1-(4-carbamoyl-5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid

C11H13FN4O3 — CID 162376585

IUPAC1-(4-carbamoyl-5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid
SMILESNC(=O)c1nc(N2CCC(C(=O)O)CC2)ncc1F
InChIInChI=1S/C11H13FN4O3/c12-7-5-14-11(15-8(7)9(13)17)16-3-1-6(2-4-16)10(18)19/h5-6H,1-4H2,(H2,13,17)(H,18,19)
InChIKeyVIJDUEHPSZLVRO-UHFFFAOYSA-N
MW268.25 g/mol
LogP0.02
Rot. Bonds3

About 1-(4-carbamoyl-5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid

1-(4-carbamoyl-5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid (PubChem CID 162376585) has the molecular formula C11H13FN4O3 and a molecular weight of 268.25 g/mol. Its IUPAC name is 1-(4-carbamoyl-5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-carbamoyl-5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid
PubChem CID162376585
Molecular FormulaC11H13FN4O3
Molecular Weight268.25 g/mol
Exact Mass268.10
IUPAC Name1-(4-carbamoyl-5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid
SMILESNC(=O)c1nc(N2CCC(C(=O)O)CC2)ncc1F
InChIInChI=1S/C11H13FN4O3/c12-7-5-14-11(15-8(7)9(13)17)16-3-1-6(2-4-16)10(18)19/h5-6H,1-4H2,(H2,13,17)(H,18,19)
InChIKeyVIJDUEHPSZLVRO-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-carbamoyl-5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(4-carbamoyl-5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid (CID 162376585) is 1-(4-carbamoyl-5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-carbamoyl-5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-carbamoyl-5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid is NC(=O)c1nc(N2CCC(C(=O)O)CC2)ncc1F.
What is the InChIKey of 1-(4-carbamoyl-5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid?
The InChIKey is VIJDUEHPSZLVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O3/c12-7-5-14-11(15-8(7)9(13)17)16-3-1-6(2-4-16)10(18)19/h5-6H,1-4H2,(H2,13,17)(H,18,19).
What are the key properties of 1-(4-carbamoyl-5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid?
1-(4-carbamoyl-5-fluoropyrimidin-2-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-(4-carbamoyl-5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 162376585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).