4-benzyl-3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one

C19H24N4O4S — CID 3862016

IUPAC4-benzyl-3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCn1cnc(S(=O)(=O)N2CCC(N3C(=O)OCC3Cc3ccccc3)CC2)c1
InChIInChI=1S/C19H24N4O4S/c1-21-12-18(20-14-21)28(25,26)22-9-7-16(8-10-22)23-17(13-27-19(23)24)11-15-5-3-2-4-6-15/h2-6,12,14,16-17H,7-11,13H2,1H3
InChIKeyJBMPWIHIFNYEIE-UHFFFAOYSA-N
MW404.49 g/mol
LogP1.64
Rot. Bonds5

About 4-benzyl-3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one

4-benzyl-3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 3862016) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is 4-benzyl-3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID3862016
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC Name4-benzyl-3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCn1cnc(S(=O)(=O)N2CCC(N3C(=O)OCC3Cc3ccccc3)CC2)c1
InChIInChI=1S/C19H24N4O4S/c1-21-12-18(20-14-21)28(25,26)22-9-7-16(8-10-22)23-17(13-27-19(23)24)11-15-5-3-2-4-6-15/h2-6,12,14,16-17H,7-11,13H2,1H3
InChIKeyJBMPWIHIFNYEIE-UHFFFAOYSA-N
XLogP1.64
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-benzyl-3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

US9656955, Example 699
CID 90405448
US9656955, Example 697
CID 137796633
US9656955, Example 407
CID 90405075
US9656955, Example 596
CID 90406213
(3R,4S)-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-phenyl-N-(2-propoxyethyl)pyrrolidin-3-amine
CID 90404538
4-[(2S,3S)-2-benzyl-3-methoxypyrrolidin-1-yl]sulfonyl-1-methylimidazole
CID 97391957
4-[(2S,3S)-2-benzyl-3-ethoxypyrrolidin-1-yl]sulfonyl-1-methylimidazole
CID 97391962
4-[(2S,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]sulfonyl-1-methylimidazole
CID 97470130
US9656955, Example 666
CID 90405317
US9656955, Example 647
CID 90405541
(3R,4S)-N-(2-ethoxyethyl)-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-phenylpyrrolidin-3-amine
CID 90405813
US9656955, Example 557
CID 90405995

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzyl-3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one (CID 3862016) is 4-benzyl-3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzyl-3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzyl-3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one is Cn1cnc(S(=O)(=O)N2CCC(N3C(=O)OCC3Cc3ccccc3)CC2)c1.
What is the InChIKey of 4-benzyl-3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is JBMPWIHIFNYEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-21-12-18(20-14-21)28(25,26)22-9-7-16(8-10-22)23-17(13-27-19(23)24)11-15-5-3-2-4-6-15/h2-6,12,14,16-17H,7-11,13H2,1H3.
What are the key properties of 4-benzyl-3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one?
4-benzyl-3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 404.49 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 3862016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).