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

C17H22BrN3O3 — CID 3464347

IUPAC3-[1-(6-bromopyridine-2-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)C1COC(=O)N1C1CCN(C(=O)c2cccc(Br)n2)CC1
InChIInChI=1S/C17H22BrN3O3/c1-11(2)14-10-24-17(23)21(14)12-6-8-20(9-7-12)16(22)13-4-3-5-15(18)19-13/h3-5,11-12,14H,6-10H2,1-2H3
InChIKeyZGQROVREDQEVIL-UHFFFAOYSA-N
MW396.29 g/mol
LogP2.93
Rot. Bonds3

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

3-[1-(6-bromopyridine-2-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 3464347) has the molecular formula C17H22BrN3O3 and a molecular weight of 396.29 g/mol. Its IUPAC name is 3-[1-(6-bromopyridine-2-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-(6-bromopyridine-2-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID3464347
Molecular FormulaC17H22BrN3O3
Molecular Weight396.29 g/mol
Exact Mass395.08
IUPAC Name3-[1-(6-bromopyridine-2-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)C1COC(=O)N1C1CCN(C(=O)c2cccc(Br)n2)CC1
InChIInChI=1S/C17H22BrN3O3/c1-11(2)14-10-24-17(23)21(14)12-6-8-20(9-7-12)16(22)13-4-3-5-15(18)19-13/h3-5,11-12,14H,6-10H2,1-2H3
InChIKeyZGQROVREDQEVIL-UHFFFAOYSA-N
XLogP2.93
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.29
LogP ≤ 52.93
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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Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-bromopyridine-2-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-(6-bromopyridine-2-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 3464347) is 3-[1-(6-bromopyridine-2-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-(6-bromopyridine-2-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-(6-bromopyridine-2-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)C1COC(=O)N1C1CCN(C(=O)c2cccc(Br)n2)CC1.
What is the InChIKey of 3-[1-(6-bromopyridine-2-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is ZGQROVREDQEVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3O3/c1-11(2)14-10-24-17(23)21(14)12-6-8-20(9-7-12)16(22)13-4-3-5-15(18)19-13/h3-5,11-12,14H,6-10H2,1-2H3.
What are the key properties of 3-[1-(6-bromopyridine-2-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
3-[1-(6-bromopyridine-2-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 396.29 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-bromopyridine-2-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 3464347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).