1-(4-fluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide

C16H23FN2O4S — CID 6459518

IUPAC1-(4-fluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide
SMILESCOCC(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN2O4S/c1-12(11-23-2)18-16(20)13-7-9-19(10-8-13)24(21,22)15-5-3-14(17)4-6-15/h3-6,12-13H,7-11H2,1-2H3,(H,18,20)
InChIKeyGXDYGUQFNGTGCA-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.38
Rot. Bonds6

About 1-(4-fluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide

1-(4-fluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide (PubChem CID 6459518) has the molecular formula C16H23FN2O4S and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide
PubChem CID6459518
Molecular FormulaC16H23FN2O4S
Molecular Weight358.44 g/mol
Exact Mass358.14
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide
SMILESCOCC(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN2O4S/c1-12(11-23-2)18-16(20)13-7-9-19(10-8-13)24(21,22)15-5-3-14(17)4-6-15/h3-6,12-13H,7-11H2,1-2H3,(H,18,20)
InChIKeyGXDYGUQFNGTGCA-UHFFFAOYSA-N
XLogP1.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-cyclohexyl-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 2129437
1-(4-Fluorobenzenesulfonyl)-N-(3-methylbutyl)piperidine-2-carboxamide
CID 6619133
N-cyclohexyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 3158860
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide
CID 11025116
(2S)-2-[(4-fluorophenyl)sulfonylamino]-3-methyl-N-[(2S)-1-oxopropan-2-yl]butanamide
CID 11782479
(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-[(3S)-oxolan-3-yl]piperidine-3-carboxamide
CID 162365276
Oxphos-IN-1
CID 162365284
(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-[(3R)-oxolan-3-yl]piperidine-3-carboxamide
CID 162365428
1-Benzenesulfonyl-piperidine-4-carboxylic acid ([1,4]dioxan-2-ylmethyl)-amide
CID 645869
1-(4-fluorophenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-4-carboxamide
CID 651280
N-[1-(2-Fluoro-benzenesulfonyl)-piperidin-4-yl]-2,2-dimethyl-propionamide
CID 652036
Morpholino[1-(phenylsulfonyl)-4-piperidinyl]methanone
CID 802533

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide (CID 6459518) is 1-(4-fluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide is COCC(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide?
The InChIKey is GXDYGUQFNGTGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O4S/c1-12(11-23-2)18-16(20)13-7-9-19(10-8-13)24(21,22)15-5-3-14(17)4-6-15/h3-6,12-13H,7-11H2,1-2H3,(H,18,20).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 6459518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).