3-[1-(2-bromo-4,5-dimethoxybenzoyl)piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one

C23H25BrN2O5 — CID 3844213

IUPAC3-[1-(2-bromo-4,5-dimethoxybenzoyl)piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCOc1cc(Br)c(C(=O)N2CCC(N3C(=O)OCC3c3ccccc3)CC2)cc1OC
InChIInChI=1S/C23H25BrN2O5/c1-29-20-12-17(18(24)13-21(20)30-2)22(27)25-10-8-16(9-11-25)26-19(14-31-23(26)28)15-6-4-3-5-7-15/h3-7,12-13,16,19H,8-11,14H2,1-2H3
InChIKeyPKACMCVGMLGSAZ-UHFFFAOYSA-N
MW489.37 g/mol
LogP4.26
Rot. Bonds5

About 3-[1-(2-bromo-4,5-dimethoxybenzoyl)piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one

3-[1-(2-bromo-4,5-dimethoxybenzoyl)piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 3844213) has the molecular formula C23H25BrN2O5 and a molecular weight of 489.37 g/mol. Its IUPAC name is 3-[1-(2-bromo-4,5-dimethoxybenzoyl)piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-(2-bromo-4,5-dimethoxybenzoyl)piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID3844213
Molecular FormulaC23H25BrN2O5
Molecular Weight489.37 g/mol
Exact Mass488.09
IUPAC Name3-[1-(2-bromo-4,5-dimethoxybenzoyl)piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCOc1cc(Br)c(C(=O)N2CCC(N3C(=O)OCC3c3ccccc3)CC2)cc1OC
InChIInChI=1S/C23H25BrN2O5/c1-29-20-12-17(18(24)13-21(20)30-2)22(27)25-10-8-16(9-11-25)26-19(14-31-23(26)28)15-6-4-3-5-7-15/h3-7,12-13,16,19H,8-11,14H2,1-2H3
InChIKeyPKACMCVGMLGSAZ-UHFFFAOYSA-N
XLogP4.26
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.37
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(2-bromo-4,5-dimethoxybenzoyl)piperidin-4-yl]-4-butyl-1,3-oxazolidin-2-one
CID 23879688
N-(5-chloro-2-methoxyphenyl)-4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidine-1-carboxamide
CID 74225372
3-[1-[3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoyl]piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 3775880
3-[1-(5-methylsulfanylthiophene-2-carbonyl)piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 3842799
3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 3842713
dimethyl 5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]benzene-1,3-dicarboxylate
CID 3869172
4-[2-oxo-2-[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one
CID 74228595
(2-bromo-4,5-dimethoxyphenyl)-piperidin-1-ylmethanone
CID 172646588
methyl (4R)-3-[1-(2-chloro-3,4-dimethoxybenzoyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 23881553
(4S)-3-[4-(aminomethyl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one
CID 143706107
4-methyl-5-phenyl-3-[1-(2,4,5-trifluoro-3-methoxybenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3869157
(4S,5R)-3-[1-[2-(3,4-dimethoxyphenyl)sulfanylacetyl]piperidin-4-yl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 74225021

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-bromo-4,5-dimethoxybenzoyl)piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-(2-bromo-4,5-dimethoxybenzoyl)piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one (CID 3844213) is 3-[1-(2-bromo-4,5-dimethoxybenzoyl)piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-(2-bromo-4,5-dimethoxybenzoyl)piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-(2-bromo-4,5-dimethoxybenzoyl)piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one is COc1cc(Br)c(C(=O)N2CCC(N3C(=O)OCC3c3ccccc3)CC2)cc1OC.
What is the InChIKey of 3-[1-(2-bromo-4,5-dimethoxybenzoyl)piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is PKACMCVGMLGSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN2O5/c1-29-20-12-17(18(24)13-21(20)30-2)22(27)25-10-8-16(9-11-25)26-19(14-31-23(26)28)15-6-4-3-5-7-15/h3-7,12-13,16,19H,8-11,14H2,1-2H3.
What are the key properties of 3-[1-(2-bromo-4,5-dimethoxybenzoyl)piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one?
3-[1-(2-bromo-4,5-dimethoxybenzoyl)piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 489.37 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-bromo-4,5-dimethoxybenzoyl)piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 3844213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).