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

C14H17BrN2O4 — CID 104594628

IUPAC1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C14H17BrN2O4/c1-14(13(20)21)6-2-3-7-17(14)12(19)9-16-8-10(15)4-5-11(16)18/h4-5,8H,2-3,6-7,9H2,1H3,(H,20,21)
InChIKeyAKYQRGJIWJSFSF-UHFFFAOYSA-N
MW357.20 g/mol
LogP1.47
Rot. Bonds3

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

1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-2-methylpiperidine-2-carboxylic acid (PubChem CID 104594628) has the molecular formula C14H17BrN2O4 and a molecular weight of 357.20 g/mol. Its IUPAC name is 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-2-methylpiperidine-2-carboxylic acid
PubChem CID104594628
Molecular FormulaC14H17BrN2O4
Molecular Weight357.20 g/mol
Exact Mass356.04
IUPAC Name1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C14H17BrN2O4/c1-14(13(20)21)6-2-3-7-17(14)12(19)9-16-8-10(15)4-5-11(16)18/h4-5,8H,2-3,6-7,9H2,1H3,(H,20,21)
InChIKeyAKYQRGJIWJSFSF-UHFFFAOYSA-N
XLogP1.47
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 51.47
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]-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-2-methylpiperidine-2-carboxylic acid (CID 104594628) is 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-2-methylpiperidine-2-carboxylic acid is CC1(C(=O)O)CCCCN1C(=O)Cn1cc(Br)ccc1=O.
What is the InChIKey of 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-2-methylpiperidine-2-carboxylic acid?
The InChIKey is AKYQRGJIWJSFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O4/c1-14(13(20)21)6-2-3-7-17(14)12(19)9-16-8-10(15)4-5-11(16)18/h4-5,8H,2-3,6-7,9H2,1H3,(H,20,21).
What are the key properties of 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-2-methylpiperidine-2-carboxylic acid?
1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-2-methylpiperidine-2-carboxylic acid has a molecular weight of 357.20 g/mol, XLogP of 1.47, 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]-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104594628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).