4-benzyl-3-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one

C24H25N3O4S — CID 3826075

IUPAC4-benzyl-3-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one
SMILESO=C1OCC(Cc2ccccc2)N1C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C24H25N3O4S/c28-24-27(21(17-31-24)16-18-6-2-1-3-7-18)20-11-14-26(15-12-20)32(29,30)22-10-4-8-19-9-5-13-25-23(19)22/h1-10,13,20-21H,11-12,14-17H2
InChIKeySWZAAKPCWWIDBX-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.45
Rot. Bonds5

About 4-benzyl-3-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one

4-benzyl-3-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one (PubChem CID 3826075) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is 4-benzyl-3-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one
PubChem CID3826075
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC Name4-benzyl-3-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one
SMILESO=C1OCC(Cc2ccccc2)N1C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C24H25N3O4S/c28-24-27(21(17-31-24)16-18-6-2-1-3-7-18)20-11-14-26(15-12-20)32(29,30)22-10-4-8-19-9-5-13-25-23(19)22/h1-10,13,20-21H,11-12,14-17H2
InChIKeySWZAAKPCWWIDBX-UHFFFAOYSA-N
XLogP3.45
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-4-benzyl-3-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one
CID 74226305
8-(4-pyrrol-1-ylpiperidin-1-yl)sulfonylquinoline
CID 2809715
8-(2-benzyl-4-cyclopropylpiperazin-1-yl)sulfonylquinoline
CID 90567332
1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one
CID 3680527
8-[4-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylquinoline
CID 99816764
(4S)-4-benzyl-3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one
CID 74227910
8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
4-benzyl-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3766970
3-phenyl-5-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole
CID 24731346
8-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylquinoline
CID 20930309
8-piperidin-1-ylsulfonylquinoline
CID 768759
4-benzyl-3-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3873723

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzyl-3-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one (CID 3826075) is 4-benzyl-3-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzyl-3-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzyl-3-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one is O=C1OCC(Cc2ccccc2)N1C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1.
What is the InChIKey of 4-benzyl-3-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one?
The InChIKey is SWZAAKPCWWIDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c28-24-27(21(17-31-24)16-18-6-2-1-3-7-18)20-11-14-26(15-12-20)32(29,30)22-10-4-8-19-9-5-13-25-23(19)22/h1-10,13,20-21H,11-12,14-17H2.
What are the key properties of 4-benzyl-3-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one?
4-benzyl-3-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one has a molecular weight of 451.55 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 3826075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).