(2,4-difluorophenyl)-[1-(5-methylsulfonyl-2-propan-2-yloxypyridine-3-carbonyl)piperidin-4-yl]methanone

C22H24F2N2O5S — CID 170406729

IUPAC(2,4-difluorophenyl)-[1-(5-methylsulfonyl-2-propan-2-yloxypyridine-3-carbonyl)piperidin-4-yl]methanone
SMILESCC(C)Oc1ncc(S(C)(=O)=O)cc1C(=O)N1CCC(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C22H24F2N2O5S/c1-13(2)31-21-18(11-16(12-25-21)32(3,29)30)22(28)26-8-6-14(7-9-26)20(27)17-5-4-15(23)10-19(17)24/h4-5,10-14H,6-9H2,1-3H3
InChIKeyQZOORSLWXXATCQ-UHFFFAOYSA-N
MW466.51 g/mol
LogP3.29
Rot. Bonds6

About (2,4-difluorophenyl)-[1-(5-methylsulfonyl-2-propan-2-yloxypyridine-3-carbonyl)piperidin-4-yl]methanone

(2,4-difluorophenyl)-[1-(5-methylsulfonyl-2-propan-2-yloxypyridine-3-carbonyl)piperidin-4-yl]methanone (PubChem CID 170406729) has the molecular formula C22H24F2N2O5S and a molecular weight of 466.51 g/mol. Its IUPAC name is (2,4-difluorophenyl)-[1-(5-methylsulfonyl-2-propan-2-yloxypyridine-3-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-[1-(5-methylsulfonyl-2-propan-2-yloxypyridine-3-carbonyl)piperidin-4-yl]methanone
PubChem CID170406729
Molecular FormulaC22H24F2N2O5S
Molecular Weight466.51 g/mol
Exact Mass466.14
IUPAC Name(2,4-difluorophenyl)-[1-(5-methylsulfonyl-2-propan-2-yloxypyridine-3-carbonyl)piperidin-4-yl]methanone
SMILESCC(C)Oc1ncc(S(C)(=O)=O)cc1C(=O)N1CCC(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C22H24F2N2O5S/c1-13(2)31-21-18(11-16(12-25-21)32(3,29)30)22(28)26-8-6-14(7-9-26)20(27)17-5-4-15(23)10-19(17)24/h4-5,10-14H,6-9H2,1-3H3
InChIKeyQZOORSLWXXATCQ-UHFFFAOYSA-N
XLogP3.29
TPSA93.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.51
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2,4-difluorophenyl)-[1-(5-methylsulfonyl-2-propan-2-yloxypyridine-3-carbonyl)piperidin-4-yl]methanone with MolForge

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Related Compounds

N-[3-(4-Fluorophenyl)-3-(4-methanesulfonyl-phenyl)-propyl]-6-(2,2,2-trifluoro-ethoxy)-nicotinamide
CID 44475063
US11059794, Example 6.18
CID 135331219
US11059794, Example 6.23
CID 135331079
US11059794, Example 6.34
CID 149209576
4-fluoro-N-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzenesulfonamide
CID 46903943
US10023592, Example 322
CID 118021385
US10023592, Example 321
CID 118022014
[4-(Benzenesulfonyl)piperazin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 2114420
(2,5-Difluorophenyl){1-[(2-methoxypyridin-3-yl)carbonyl]piperidin-3-yl}methanone
CID 16191698
2-({1-[2-(Methylsulfanyl)benzoyl]piperidin-4-YL}oxy)-5-(trifluoromethyl)pyridine
CID 71798741
(4-((4-Fluorophenyl)sulfonyl)piperidin-1-yl)(2-methoxypyridin-3-yl)methanone
CID 71808821
2-{[1-(3,4-Difluorobenzenesulfonyl)pyrrolidin-3-YL]oxy}-N,N-dimethylpyridine-3-carboxamide
CID 91904280

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-[1-(5-methylsulfonyl-2-propan-2-yloxypyridine-3-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of (2,4-difluorophenyl)-[1-(5-methylsulfonyl-2-propan-2-yloxypyridine-3-carbonyl)piperidin-4-yl]methanone (CID 170406729) is (2,4-difluorophenyl)-[1-(5-methylsulfonyl-2-propan-2-yloxypyridine-3-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for (2,4-difluorophenyl)-[1-(5-methylsulfonyl-2-propan-2-yloxypyridine-3-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for (2,4-difluorophenyl)-[1-(5-methylsulfonyl-2-propan-2-yloxypyridine-3-carbonyl)piperidin-4-yl]methanone is CC(C)Oc1ncc(S(C)(=O)=O)cc1C(=O)N1CCC(C(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of (2,4-difluorophenyl)-[1-(5-methylsulfonyl-2-propan-2-yloxypyridine-3-carbonyl)piperidin-4-yl]methanone?
The InChIKey is QZOORSLWXXATCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O5S/c1-13(2)31-21-18(11-16(12-25-21)32(3,29)30)22(28)26-8-6-14(7-9-26)20(27)17-5-4-15(23)10-19(17)24/h4-5,10-14H,6-9H2,1-3H3.
What are the key properties of (2,4-difluorophenyl)-[1-(5-methylsulfonyl-2-propan-2-yloxypyridine-3-carbonyl)piperidin-4-yl]methanone?
(2,4-difluorophenyl)-[1-(5-methylsulfonyl-2-propan-2-yloxypyridine-3-carbonyl)piperidin-4-yl]methanone has a molecular weight of 466.51 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-[1-(5-methylsulfonyl-2-propan-2-yloxypyridine-3-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 170406729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).