methyl 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-2-carboxylate

C14H17BrN2O4 — CID 49383807

IUPACmethyl 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C14H17BrN2O4/c1-21-14(20)11-4-2-3-7-17(11)13(19)9-16-8-10(15)5-6-12(16)18/h5-6,8,11H,2-4,7,9H2,1H3
InChIKeyRCYQIODQCGNFFJ-UHFFFAOYSA-N
MW357.20 g/mol
LogP1.16
Rot. Bonds3

About methyl 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-2-carboxylate

methyl 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-2-carboxylate (PubChem CID 49383807) has the molecular formula C14H17BrN2O4 and a molecular weight of 357.20 g/mol. Its IUPAC name is methyl 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-2-carboxylate
PubChem CID49383807
Molecular FormulaC14H17BrN2O4
Molecular Weight357.20 g/mol
Exact Mass356.04
IUPAC Namemethyl 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C14H17BrN2O4/c1-21-14(20)11-4-2-3-7-17(11)13(19)9-16-8-10(15)5-6-12(16)18/h5-6,8,11H,2-4,7,9H2,1H3
InChIKeyRCYQIODQCGNFFJ-UHFFFAOYSA-N
XLogP1.16
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-2-carboxylate?
The IUPAC name of methyl 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-2-carboxylate (CID 49383807) is methyl 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-2-carboxylate is COC(=O)C1CCCCN1C(=O)Cn1cc(Br)ccc1=O.
What is the InChIKey of methyl 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-2-carboxylate?
The InChIKey is RCYQIODQCGNFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O4/c1-21-14(20)11-4-2-3-7-17(11)13(19)9-16-8-10(15)5-6-12(16)18/h5-6,8,11H,2-4,7,9H2,1H3.
What are the key properties of methyl 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-2-carboxylate?
methyl 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-2-carboxylate has a molecular weight of 357.20 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-2-carboxylate is sourced from PubChem (CID 49383807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).