(4-benzylsulfonylpiperidin-1-yl)-(5-fluoro-3-pyridinyl)methanone

C18H19FN2O3S — CID 119105563

IUPAC(4-benzylsulfonylpiperidin-1-yl)-(5-fluoro-3-pyridinyl)methanone
SMILESO=C(c1cncc(F)c1)N1CCC(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C18H19FN2O3S/c19-16-10-15(11-20-12-16)18(22)21-8-6-17(7-9-21)25(23,24)13-14-4-2-1-3-5-14/h1-5,10-12,17H,6-9,13H2
InChIKeyKBRJHRAYTKHCNF-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.44
Rot. Bonds4

About (4-benzylsulfonylpiperidin-1-yl)-(5-fluoro-3-pyridinyl)methanone

(4-benzylsulfonylpiperidin-1-yl)-(5-fluoro-3-pyridinyl)methanone (PubChem CID 119105563) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is (4-benzylsulfonylpiperidin-1-yl)-(5-fluoro-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-benzylsulfonylpiperidin-1-yl)-(5-fluoro-3-pyridinyl)methanone
PubChem CID119105563
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Name(4-benzylsulfonylpiperidin-1-yl)-(5-fluoro-3-pyridinyl)methanone
SMILESO=C(c1cncc(F)c1)N1CCC(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C18H19FN2O3S/c19-16-10-15(11-20-12-16)18(22)21-8-6-17(7-9-21)25(23,24)13-14-4-2-1-3-5-14/h1-5,10-12,17H,6-9,13H2
InChIKeyKBRJHRAYTKHCNF-UHFFFAOYSA-N
XLogP2.44
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 115736655
(4-benzylsulfonylpiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 119105556
N-[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methanesulfonamide
CID 91829899
(4-benzylsulfonylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 121022772
(5-fluoro-3-pyridinyl)-[(3R)-3-(phenylsulfanylmethyl)pyrrolidin-1-yl]methanone
CID 124574317
1-benzothiophen-2-yl-(4-benzylsulfonylpiperidin-1-yl)methanone
CID 119105549
(4-benzylsulfonylpiperidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 119105558
6-(4-benzylsulfonylpiperidine-1-carbonyl)-2-methylpyridazin-3-one
CID 121022762
(4-benzylsulfonylpiperidin-1-yl)-cyclohex-3-en-1-ylmethanone
CID 121022759
(2S)-N-benzyl-2-[4-(5-fluoropyridine-3-carbonyl)piperazin-1-yl]-2-phenylacetamide
CID 100657682
(4-cyclopentylpiperazin-1-yl)-(5-fluoro-3-pyridinyl)methanone
CID 121184691
1-phenyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]methanesulfonamide
CID 121108054

Frequently Asked Questions

What is the IUPAC name of (4-benzylsulfonylpiperidin-1-yl)-(5-fluoro-3-pyridinyl)methanone?
The IUPAC name of (4-benzylsulfonylpiperidin-1-yl)-(5-fluoro-3-pyridinyl)methanone (CID 119105563) is (4-benzylsulfonylpiperidin-1-yl)-(5-fluoro-3-pyridinyl)methanone.
What is the SMILES notation for (4-benzylsulfonylpiperidin-1-yl)-(5-fluoro-3-pyridinyl)methanone?
The canonical SMILES for (4-benzylsulfonylpiperidin-1-yl)-(5-fluoro-3-pyridinyl)methanone is O=C(c1cncc(F)c1)N1CCC(S(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylsulfonylpiperidin-1-yl)-(5-fluoro-3-pyridinyl)methanone?
The InChIKey is KBRJHRAYTKHCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c19-16-10-15(11-20-12-16)18(22)21-8-6-17(7-9-21)25(23,24)13-14-4-2-1-3-5-14/h1-5,10-12,17H,6-9,13H2.
What are the key properties of (4-benzylsulfonylpiperidin-1-yl)-(5-fluoro-3-pyridinyl)methanone?
(4-benzylsulfonylpiperidin-1-yl)-(5-fluoro-3-pyridinyl)methanone has a molecular weight of 362.43 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylsulfonylpiperidin-1-yl)-(5-fluoro-3-pyridinyl)methanone is sourced from PubChem (CID 119105563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).