4-benzyl-3-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one

C23H28N2O4S — CID 3873723

IUPAC4-benzyl-3-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCS(=O)(=O)c1ccc(CN2CCC(N3C(=O)OCC3Cc3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N2O4S/c1-30(27,28)22-9-7-19(8-10-22)16-24-13-11-20(12-14-24)25-21(17-29-23(25)26)15-18-5-3-2-4-6-18/h2-10,20-21H,11-17H2,1H3
InChIKeyRBRWUZMAZIKHLP-UHFFFAOYSA-N
MW428.55 g/mol
LogP3.12
Rot. Bonds6

About 4-benzyl-3-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one

4-benzyl-3-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 3873723) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is 4-benzyl-3-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID3873723
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC Name4-benzyl-3-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCS(=O)(=O)c1ccc(CN2CCC(N3C(=O)OCC3Cc3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N2O4S/c1-30(27,28)22-9-7-19(8-10-22)16-24-13-11-20(12-14-24)25-21(17-29-23(25)26)15-18-5-3-2-4-6-18/h2-10,20-21H,11-17H2,1H3
InChIKeyRBRWUZMAZIKHLP-UHFFFAOYSA-N
XLogP3.12
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzyl-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3766970
(4S)-4-benzyl-3-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one
CID 74226305
(4S)-4-benzyl-3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one
CID 74227910
methyl 2-[[4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbothioyl]amino]acetate
CID 3697585
(4S)-4-benzyl-3-[(3S)-1-benzylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one
CID 142014992
N-[4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbothioyl]furan-2-carboxamide
CID 3573998
ethenyl 4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate
CID 3857415
4-benzyl-3-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one
CID 3826075
4-tert-butyl-1-[(4-methylsulfonylphenyl)methyl]piperidine
CID 58974928
1-[(4-methylsulfonylphenyl)methyl]-4-phenylpiperazine
CID 141118596
[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methanol
CID 122463493
(4R)-4-benzyl-3-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 23991572

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzyl-3-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 3873723) is 4-benzyl-3-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzyl-3-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzyl-3-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one is CS(=O)(=O)c1ccc(CN2CCC(N3C(=O)OCC3Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-benzyl-3-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is RBRWUZMAZIKHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-30(27,28)22-9-7-19(8-10-22)16-24-13-11-20(12-14-24)25-21(17-29-23(25)26)15-18-5-3-2-4-6-18/h2-10,20-21H,11-17H2,1H3.
What are the key properties of 4-benzyl-3-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
4-benzyl-3-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 428.55 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 3873723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).