3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-methylsulfonylphenyl]-1,3-oxazolidin-2-one

C24H26N2O6S — CID 67381086

IUPAC3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-methylsulfonylphenyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(C(=O)C2CCN(C(=O)c3ccc(N4CCOC4=O)cc3S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C24H26N2O6S/c1-16-3-5-17(6-4-16)22(27)18-9-11-25(12-10-18)23(28)20-8-7-19(15-21(20)33(2,30)31)26-13-14-32-24(26)29/h3-8,15,18H,9-14H2,1-2H3
InChIKeyOIYVYOXWCKIIQC-UHFFFAOYSA-N
MW470.55 g/mol
LogP3.09
Rot. Bonds5

About 3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-methylsulfonylphenyl]-1,3-oxazolidin-2-one

3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-methylsulfonylphenyl]-1,3-oxazolidin-2-one (PubChem CID 67381086) has the molecular formula C24H26N2O6S and a molecular weight of 470.55 g/mol. Its IUPAC name is 3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-methylsulfonylphenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-methylsulfonylphenyl]-1,3-oxazolidin-2-one
PubChem CID67381086
Molecular FormulaC24H26N2O6S
Molecular Weight470.55 g/mol
Exact Mass470.15
IUPAC Name3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-methylsulfonylphenyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(C(=O)C2CCN(C(=O)c3ccc(N4CCOC4=O)cc3S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C24H26N2O6S/c1-16-3-5-17(6-4-16)22(27)18-9-11-25(12-10-18)23(28)20-8-7-19(15-21(20)33(2,30)31)26-13-14-32-24(26)29/h3-8,15,18H,9-14H2,1-2H3
InChIKeyOIYVYOXWCKIIQC-UHFFFAOYSA-N
XLogP3.09
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(hydroxymethyl)-3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-methylsulfonylphenyl]-1,3-oxazolidin-2-one
CID 67382032
(4R)-4-(hydroxymethyl)-3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-methylsulfonylphenyl]-1,3-oxazolidin-2-one
CID 67382025
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 2741000
(4-chlorophenyl)-[1-[2-methylsulfonyl-4-(1H-pyrrol-3-yl)benzoyl]piperidin-4-yl]methanone
CID 141265377
(4R)-4-methyl-3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one
CID 67381029
4-methyl-3-methylsulfonyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide
CID 94659890
3-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 110710655
(4-methylphenyl)-[1-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperidin-4-yl]methanone
CID 55957097
[1-(3-aminopyrazine-2-carbonyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 51089756
3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-1,3-oxazolidin-2-one
CID 58484534
2-methyl-N-[1-[4-(2-oxo-1,3-oxazolidin-3-yl)benzoyl]piperidin-4-yl]benzamide
CID 46465302
1-[4-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]azetidine-2-carbaldehyde
CID 174672949

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-methylsulfonylphenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-methylsulfonylphenyl]-1,3-oxazolidin-2-one (CID 67381086) is 3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-methylsulfonylphenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-methylsulfonylphenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-methylsulfonylphenyl]-1,3-oxazolidin-2-one is Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(N4CCOC4=O)cc3S(C)(=O)=O)CC2)cc1.
What is the InChIKey of 3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-methylsulfonylphenyl]-1,3-oxazolidin-2-one?
The InChIKey is OIYVYOXWCKIIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O6S/c1-16-3-5-17(6-4-16)22(27)18-9-11-25(12-10-18)23(28)20-8-7-19(15-21(20)33(2,30)31)26-13-14-32-24(26)29/h3-8,15,18H,9-14H2,1-2H3.
What are the key properties of 3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-methylsulfonylphenyl]-1,3-oxazolidin-2-one?
3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-methylsulfonylphenyl]-1,3-oxazolidin-2-one has a molecular weight of 470.55 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-methylsulfonylphenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 67381086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).