3-[1-[2-(2-bromo-4-hydroxy-5-methoxyphenyl)acetyl]piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one

C19H25BrN2O5 — CID 4513295

IUPAC3-[1-[2-(2-bromo-4-hydroxy-5-methoxyphenyl)acetyl]piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one
SMILESCCC1CN(C2CCN(C(=O)Cc3cc(OC)c(O)cc3Br)CC2)C(=O)O1
InChIInChI=1S/C19H25BrN2O5/c1-3-14-11-22(19(25)27-14)13-4-6-21(7-5-13)18(24)9-12-8-17(26-2)16(23)10-15(12)20/h8,10,13-14,23H,3-7,9,11H2,1-2H3
InChIKeyFLDJMIKAIIDLRP-UHFFFAOYSA-N
MW441.32 g/mol
LogP2.93
Rot. Bonds5

About 3-[1-[2-(2-bromo-4-hydroxy-5-methoxyphenyl)acetyl]piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one

3-[1-[2-(2-bromo-4-hydroxy-5-methoxyphenyl)acetyl]piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one (PubChem CID 4513295) has the molecular formula C19H25BrN2O5 and a molecular weight of 441.32 g/mol. Its IUPAC name is 3-[1-[2-(2-bromo-4-hydroxy-5-methoxyphenyl)acetyl]piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[2-(2-bromo-4-hydroxy-5-methoxyphenyl)acetyl]piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one
PubChem CID4513295
Molecular FormulaC19H25BrN2O5
Molecular Weight441.32 g/mol
Exact Mass440.09
IUPAC Name3-[1-[2-(2-bromo-4-hydroxy-5-methoxyphenyl)acetyl]piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one
SMILESCCC1CN(C2CCN(C(=O)Cc3cc(OC)c(O)cc3Br)CC2)C(=O)O1
InChIInChI=1S/C19H25BrN2O5/c1-3-14-11-22(19(25)27-14)13-4-6-21(7-5-13)18(24)9-12-8-17(26-2)16(23)10-15(12)20/h8,10,13-14,23H,3-7,9,11H2,1-2H3
InChIKeyFLDJMIKAIIDLRP-UHFFFAOYSA-N
XLogP2.93
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(2-bromo-4-hydroxy-5-methoxyphenyl)acetyl]piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-[2-(2-bromo-4-hydroxy-5-methoxyphenyl)acetyl]piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one (CID 4513295) is 3-[1-[2-(2-bromo-4-hydroxy-5-methoxyphenyl)acetyl]piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-[2-(2-bromo-4-hydroxy-5-methoxyphenyl)acetyl]piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-[2-(2-bromo-4-hydroxy-5-methoxyphenyl)acetyl]piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one is CCC1CN(C2CCN(C(=O)Cc3cc(OC)c(O)cc3Br)CC2)C(=O)O1.
What is the InChIKey of 3-[1-[2-(2-bromo-4-hydroxy-5-methoxyphenyl)acetyl]piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one?
The InChIKey is FLDJMIKAIIDLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrN2O5/c1-3-14-11-22(19(25)27-14)13-4-6-21(7-5-13)18(24)9-12-8-17(26-2)16(23)10-15(12)20/h8,10,13-14,23H,3-7,9,11H2,1-2H3.
What are the key properties of 3-[1-[2-(2-bromo-4-hydroxy-5-methoxyphenyl)acetyl]piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one?
3-[1-[2-(2-bromo-4-hydroxy-5-methoxyphenyl)acetyl]piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one has a molecular weight of 441.32 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(2-bromo-4-hydroxy-5-methoxyphenyl)acetyl]piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 4513295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).