3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one

C16H20BrN3O3 — CID 4987087

IUPAC3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)COC(=O)N1C1CCN(C(=O)c2cncc(Br)c2)CC1
InChIInChI=1S/C16H20BrN3O3/c1-16(2)10-23-15(22)20(16)13-3-5-19(6-4-13)14(21)11-7-12(17)9-18-8-11/h7-9,13H,3-6,10H2,1-2H3
InChIKeyGCWUTLIBZPJGSD-UHFFFAOYSA-N
MW382.26 g/mol
LogP2.68
Rot. Bonds2

About 3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one

3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one (PubChem CID 4987087) has the molecular formula C16H20BrN3O3 and a molecular weight of 382.26 g/mol. Its IUPAC name is 3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
PubChem CID4987087
Molecular FormulaC16H20BrN3O3
Molecular Weight382.26 g/mol
Exact Mass381.07
IUPAC Name3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)COC(=O)N1C1CCN(C(=O)c2cncc(Br)c2)CC1
InChIInChI=1S/C16H20BrN3O3/c1-16(2)10-23-15(22)20(16)13-3-5-19(6-4-13)14(21)11-7-12(17)9-18-8-11/h7-9,13H,3-6,10H2,1-2H3
InChIKeyGCWUTLIBZPJGSD-UHFFFAOYSA-N
XLogP2.68
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one (CID 4987087) is 3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one is CC1(C)COC(=O)N1C1CCN(C(=O)c2cncc(Br)c2)CC1.
What is the InChIKey of 3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is GCWUTLIBZPJGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O3/c1-16(2)10-23-15(22)20(16)13-3-5-19(6-4-13)14(21)11-7-12(17)9-18-8-11/h7-9,13H,3-6,10H2,1-2H3.
What are the key properties of 3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one?
3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 382.26 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 4987087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).