1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid

C13H15BrN2O4 — CID 43245238

IUPAC1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Cn2cc(Br)ccc2=O)CC1
InChIInChI=1S/C13H15BrN2O4/c14-10-1-2-11(17)16(7-10)8-12(18)15-5-3-9(4-6-15)13(19)20/h1-2,7,9H,3-6,8H2,(H,19,20)
InChIKeyLDFJRDASMYYUEK-UHFFFAOYSA-N
MW343.18 g/mol
LogP0.93
Rot. Bonds3

About 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid

1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid (PubChem CID 43245238) has the molecular formula C13H15BrN2O4 and a molecular weight of 343.18 g/mol. Its IUPAC name is 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid
PubChem CID43245238
Molecular FormulaC13H15BrN2O4
Molecular Weight343.18 g/mol
Exact Mass342.02
IUPAC Name1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Cn2cc(Br)ccc2=O)CC1
InChIInChI=1S/C13H15BrN2O4/c14-10-1-2-11(17)16(7-10)8-12(18)15-5-3-9(4-6-15)13(19)20/h1-2,7,9H,3-6,8H2,(H,19,20)
InChIKeyLDFJRDASMYYUEK-UHFFFAOYSA-N
XLogP0.93
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid (CID 43245238) is 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)Cn2cc(Br)ccc2=O)CC1.
What is the InChIKey of 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid?
The InChIKey is LDFJRDASMYYUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O4/c14-10-1-2-11(17)16(7-10)8-12(18)15-5-3-9(4-6-15)13(19)20/h1-2,7,9H,3-6,8H2,(H,19,20).
What are the key properties of 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid?
1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid has a molecular weight of 343.18 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 43245238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).