4-benzyl-3-[1-(6-bromopyridine-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one

C21H22BrN3O3 — CID 3712584

IUPAC4-benzyl-3-[1-(6-bromopyridine-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C(c1cccc(Br)n1)N1CCC(N2C(=O)OCC2Cc2ccccc2)CC1
InChIInChI=1S/C21H22BrN3O3/c22-19-8-4-7-18(23-19)20(26)24-11-9-16(10-12-24)25-17(14-28-21(25)27)13-15-5-2-1-3-6-15/h1-8,16-17H,9-14H2
InChIKeyIPEPWOUVAFCUPF-UHFFFAOYSA-N
MW444.33 g/mol
LogP3.51
Rot. Bonds4

About 4-benzyl-3-[1-(6-bromopyridine-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one

4-benzyl-3-[1-(6-bromopyridine-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 3712584) has the molecular formula C21H22BrN3O3 and a molecular weight of 444.33 g/mol. Its IUPAC name is 4-benzyl-3-[1-(6-bromopyridine-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-[1-(6-bromopyridine-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID3712584
Molecular FormulaC21H22BrN3O3
Molecular Weight444.33 g/mol
Exact Mass443.08
IUPAC Name4-benzyl-3-[1-(6-bromopyridine-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C(c1cccc(Br)n1)N1CCC(N2C(=O)OCC2Cc2ccccc2)CC1
InChIInChI=1S/C21H22BrN3O3/c22-19-8-4-7-18(23-19)20(26)24-11-9-16(10-12-24)25-17(14-28-21(25)27)13-15-5-2-1-3-6-15/h1-8,16-17H,9-14H2
InChIKeyIPEPWOUVAFCUPF-UHFFFAOYSA-N
XLogP3.51
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.33
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-[1-(6-bromopyridine-2-carbonyl)piperidin-4-yl]-4-butyl-1,3-oxazolidin-2-one
CID 5158542
(4R)-4-benzyl-3-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 23991572
3-[1-(6-bromopyridine-2-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 3464347
ethenyl 4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate
CID 3857415
2-[4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carbonyl]-N,N-diethyl-3,6-difluorobenzamide
CID 23904126
N-[4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbothioyl]furan-2-carboxamide
CID 3573998
methyl 2-[[4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbothioyl]amino]acetate
CID 3697585
N-[4-[4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-2-propan-2-ylsulfanylacetamide
CID 3854247
4-benzyl-3-[1-[2-[4-(furan-2-yl)pyrimidin-2-yl]sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3758363
4-benzyl-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3766970
4-benzyl-3-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one
CID 3826075
4-benzyl-3-[1-[2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3768484

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-[1-(6-bromopyridine-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzyl-3-[1-(6-bromopyridine-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one (CID 3712584) is 4-benzyl-3-[1-(6-bromopyridine-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzyl-3-[1-(6-bromopyridine-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzyl-3-[1-(6-bromopyridine-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one is O=C(c1cccc(Br)n1)N1CCC(N2C(=O)OCC2Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-3-[1-(6-bromopyridine-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is IPEPWOUVAFCUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BrN3O3/c22-19-8-4-7-18(23-19)20(26)24-11-9-16(10-12-24)25-17(14-28-21(25)27)13-15-5-2-1-3-6-15/h1-8,16-17H,9-14H2.
What are the key properties of 4-benzyl-3-[1-(6-bromopyridine-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
4-benzyl-3-[1-(6-bromopyridine-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 444.33 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-[1-(6-bromopyridine-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 3712584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).