[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone

C21H24F2N4O5S — CID 55971697

IUPAC[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(F)c(F)c4)CC3)CC2)on1
InChIInChI=1S/C21H24F2N4O5S/c1-14-12-19(32-24-14)21(29)26-10-8-25(9-11-26)20(28)15-4-6-27(7-5-15)33(30,31)16-2-3-17(22)18(23)13-16/h2-3,12-13,15H,4-11H2,1H3
InChIKeyGIQWIFVESLKCMW-UHFFFAOYSA-N
MW482.51 g/mol
LogP1.65
Rot. Bonds4

About [1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone

[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone (PubChem CID 55971697) has the molecular formula C21H24F2N4O5S and a molecular weight of 482.51 g/mol. Its IUPAC name is [1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone
PubChem CID55971697
Molecular FormulaC21H24F2N4O5S
Molecular Weight482.51 g/mol
Exact Mass482.14
IUPAC Name[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(F)c(F)c4)CC3)CC2)on1
InChIInChI=1S/C21H24F2N4O5S/c1-14-12-19(32-24-14)21(29)26-10-8-25(9-11-26)20(28)15-4-6-27(7-5-15)33(30,31)16-2-3-17(22)18(23)13-16/h2-3,12-13,15H,4-11H2,1H3
InChIKeyGIQWIFVESLKCMW-UHFFFAOYSA-N
XLogP1.65
TPSA104.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.51
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 38488057
[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51154217
1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 55972850
[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 113003143
cyclopropyl-[4-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methanone
CID 32651804
[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55917517
[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methanone
CID 55971446
[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone
CID 39633013
[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 4806788
[1-(4-chloro-3-methylphenyl)sulfonylpiperidin-4-yl]-piperidin-1-ylmethanone
CID 113003064
1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one
CID 55867380
(2-chloro-6-fluorophenyl)-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 38167847

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone (CID 55971697) is [1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(F)c(F)c4)CC3)CC2)on1.
What is the InChIKey of [1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone?
The InChIKey is GIQWIFVESLKCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N4O5S/c1-14-12-19(32-24-14)21(29)26-10-8-25(9-11-26)20(28)15-4-6-27(7-5-15)33(30,31)16-2-3-17(22)18(23)13-16/h2-3,12-13,15H,4-11H2,1H3.
What are the key properties of [1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone?
[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone has a molecular weight of 482.51 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 55971697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).