2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide

C20H24FN3O3S — CID 92634143

IUPAC2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide
SMILESC[C@@H](NC(=O)CC1CCN(S(=O)(=O)c2cccc(F)c2)CC1)c1ccccn1
InChIInChI=1S/C20H24FN3O3S/c1-15(19-7-2-3-10-22-19)23-20(25)13-16-8-11-24(12-9-16)28(26,27)18-6-4-5-17(21)14-18/h2-7,10,14-16H,8-9,11-13H2,1H3,(H,23,25)/t15-/m1/s1
InChIKeyOSJRCNAHJCOBQB-OAHLLOKOSA-N
MW405.50 g/mol
LogP2.89
Rot. Bonds6

About 2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide

2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide (PubChem CID 92634143) has the molecular formula C20H24FN3O3S and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide
PubChem CID92634143
Molecular FormulaC20H24FN3O3S
Molecular Weight405.50 g/mol
Exact Mass405.15
IUPAC Name2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide
SMILESC[C@@H](NC(=O)CC1CCN(S(=O)(=O)c2cccc(F)c2)CC1)c1ccccn1
InChIInChI=1S/C20H24FN3O3S/c1-15(19-7-2-3-10-22-19)23-20(25)13-16-8-11-24(12-9-16)28(26,27)18-6-4-5-17(21)14-18/h2-7,10,14-16H,8-9,11-13H2,1H3,(H,23,25)/t15-/m1/s1
InChIKeyOSJRCNAHJCOBQB-OAHLLOKOSA-N
XLogP2.89
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-(1-pyridin-2-ylethyl)acetamide
CID 110246280
N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]acetamide
CID 92633858
N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]acetamide
CID 92633777
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]acetamide
CID 110246224
N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]acetamide
CID 92634109
2-[1-(2-methylpropanoyl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 92634096
2-[1-(2-phenylacetyl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 92634093
2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 92634141
2-piperidin-4-yl-N-(1-pyridin-2-ylethyl)acetamide
CID 54910208
2-(azetidin-3-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 81406682
3-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 18086450
2-chloro-N-[(1R)-1-pyridin-2-ylethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 9362538

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide?
The IUPAC name of 2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide (CID 92634143) is 2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide.
What is the SMILES notation for 2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide?
The canonical SMILES for 2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide is C[C@@H](NC(=O)CC1CCN(S(=O)(=O)c2cccc(F)c2)CC1)c1ccccn1.
What is the InChIKey of 2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide?
The InChIKey is OSJRCNAHJCOBQB-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24FN3O3S/c1-15(19-7-2-3-10-22-19)23-20(25)13-16-8-11-24(12-9-16)28(26,27)18-6-4-5-17(21)14-18/h2-7,10,14-16H,8-9,11-13H2,1H3,(H,23,25)/t15-/m1/s1.
What are the key properties of 2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide?
2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide has a molecular weight of 405.50 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide is sourced from PubChem (CID 92634143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).