methyl 3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate

C16H18BrN3O5 — CID 3578928

IUPACmethyl 3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1COC(=O)N1C1CCN(C(=O)c2cncc(Br)c2)CC1
InChIInChI=1S/C16H18BrN3O5/c1-24-15(22)13-9-25-16(23)20(13)12-2-4-19(5-3-12)14(21)10-6-11(17)8-18-7-10/h6-8,12-13H,2-5,9H2,1H3
InChIKeyAFTWCCDDTZRZIX-UHFFFAOYSA-N
MW412.24 g/mol
LogP1.44
Rot. Bonds3

About methyl 3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate

methyl 3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate (PubChem CID 3578928) has the molecular formula C16H18BrN3O5 and a molecular weight of 412.24 g/mol. Its IUPAC name is methyl 3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
PubChem CID3578928
Molecular FormulaC16H18BrN3O5
Molecular Weight412.24 g/mol
Exact Mass411.04
IUPAC Namemethyl 3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1COC(=O)N1C1CCN(C(=O)c2cncc(Br)c2)CC1
InChIInChI=1S/C16H18BrN3O5/c1-24-15(22)13-9-25-16(23)20(13)12-2-4-19(5-3-12)14(21)10-6-11(17)8-18-7-10/h6-8,12-13H,2-5,9H2,1H3
InChIKeyAFTWCCDDTZRZIX-UHFFFAOYSA-N
XLogP1.44
TPSA89.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.24
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate with MolForge

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Related Compounds

methyl (4R)-3-[1-(4,5-dimethylfuran-2-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 23941107
(5-bromo-3-pyridinyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616461
methyl (4R)-3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 23732408
methyl (4S)-3-[1-(5-chloro-4-methoxythiophene-3-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 74225202
methyl (4R)-3-[1-(2-chloro-3,4-dimethoxybenzoyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 23881553
[4-(1-bromoethyl)piperidin-1-yl]-(5-bromo-3-pyridinyl)methanone
CID 106839194
methyl 2-[1-(5-bromopyridine-3-carbonyl)pyrrolidin-3-yl]sulfanylacetate
CID 86264281
methyl 3-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 3864373
(5-bromo-3-pyridinyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64598733
[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 51152726
(5-bromo-3-pyridinyl)-(4-cyclopentylpiperazin-1-yl)methanone
CID 60735608
(5-bromo-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106669648

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl 3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate (CID 3578928) is methyl 3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl 3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl 3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate is COC(=O)C1COC(=O)N1C1CCN(C(=O)c2cncc(Br)c2)CC1.
What is the InChIKey of methyl 3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
The InChIKey is AFTWCCDDTZRZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O5/c1-24-15(22)13-9-25-16(23)20(13)12-2-4-19(5-3-12)14(21)10-6-11(17)8-18-7-10/h6-8,12-13H,2-5,9H2,1H3.
What are the key properties of methyl 3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
methyl 3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate has a molecular weight of 412.24 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 3578928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).