methyl 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylate

C14H17BrN2O4 — CID 43406877

IUPACmethyl 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)Cn2cc(Br)ccc2=O)CC1
InChIInChI=1S/C14H17BrN2O4/c1-21-14(20)10-4-6-16(7-5-10)13(19)9-17-8-11(15)2-3-12(17)18/h2-3,8,10H,4-7,9H2,1H3
InChIKeyFEZAGMOCAQCJKZ-UHFFFAOYSA-N
MW357.20 g/mol
LogP1.02
Rot. Bonds3

About methyl 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylate

methyl 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylate (PubChem CID 43406877) 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-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylate
PubChem CID43406877
Molecular FormulaC14H17BrN2O4
Molecular Weight357.20 g/mol
Exact Mass356.04
IUPAC Namemethyl 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)Cn2cc(Br)ccc2=O)CC1
InChIInChI=1S/C14H17BrN2O4/c1-21-14(20)10-4-6-16(7-5-10)13(19)9-17-8-11(15)2-3-12(17)18/h2-3,8,10H,4-7,9H2,1H3
InChIKeyFEZAGMOCAQCJKZ-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-4-carboxylate
CID 133959664
1-[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid
CID 43245238
Methyl 1-(1-methyl-2-oxo-1,2-dihydropyridine-4-carbonyl)piperidine-4-carboxylate
CID 43423513
Methyl 1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidine-4-carboxylate
CID 43431194
1-[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxamide
CID 45798368
Methyl 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]pyrrolidine-3-carboxylate
CID 47340294
5-Bromo-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one
CID 52328870
Methyl 1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylate
CID 53615161
Methyl 1-[[2-(2-oxo-1-pyridinyl)acetyl]sulfamoyl]piperidine-4-carboxylate
CID 55995923
Ethyl 1-[2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-methylamino]acetyl]piperidine-4-carboxylate
CID 56391376
ethyl 1-[2-[[(2E,4E)-hexa-2,4-dienoyl]-methylamino]acetyl]piperidine-4-carboxylate
CID 60218692
1-[2-(2-Oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid
CID 61320199

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylate (CID 43406877) is methyl 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)Cn2cc(Br)ccc2=O)CC1.
What is the InChIKey of methyl 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylate?
The InChIKey is FEZAGMOCAQCJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O4/c1-21-14(20)10-4-6-16(7-5-10)13(19)9-17-8-11(15)2-3-12(17)18/h2-3,8,10H,4-7,9H2,1H3.
What are the key properties of methyl 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylate?
methyl 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylate has a molecular weight of 357.20 g/mol, XLogP of 1.02, 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-4-carboxylate is sourced from PubChem (CID 43406877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).