1-(4-fluorophenyl)-N-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide

C16H23FN2O3S — CID 94811590

IUPAC1-(4-fluorophenyl)-N-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
SMILESC[C@@H]1CCCCN1C(=O)[C@@H](C)NS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C16H23FN2O3S/c1-12-5-3-4-10-19(12)16(20)13(2)18-23(21,22)11-14-6-8-15(17)9-7-14/h6-9,12-13,18H,3-5,10-11H2,1-2H3/t12-,13-/m1/s1
InChIKeyZDBMYBQRCVOKDJ-CHWSQXEVSA-N
MW342.44 g/mol
LogP2.03
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide

1-(4-fluorophenyl)-N-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide (PubChem CID 94811590) has the molecular formula C16H23FN2O3S and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
PubChem CID94811590
Molecular FormulaC16H23FN2O3S
Molecular Weight342.44 g/mol
Exact Mass342.14
IUPAC Name1-(4-fluorophenyl)-N-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
SMILESC[C@@H]1CCCCN1C(=O)[C@@H](C)NS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C16H23FN2O3S/c1-12-5-3-4-10-19(12)16(20)13(2)18-23(21,22)11-14-6-8-15(17)9-7-14/h6-9,12-13,18H,3-5,10-11H2,1-2H3/t12-,13-/m1/s1
InChIKeyZDBMYBQRCVOKDJ-CHWSQXEVSA-N
XLogP2.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)-N-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide with MolForge

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Related Compounds

2-[(4-fluorophenyl)methylsulfonylamino]propanoic acid
CID 43361295
methyl 2-[(4-fluorophenyl)methylsulfonylamino]propanoate
CID 60715311
(2S)-2-[(5-fluoro-2-pyridinyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one
CID 124880339
1-[2-(diethylsulfamoylamino)propanoyl]-2-methylpiperidine
CID 51108067
1-(4-chlorophenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]methanesulfonamide
CID 110347605
4-fluoro-N-[3-methyl-1-(2-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzamide
CID 51145484
3-methyl-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
CID 95148436
3-cyano-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
CID 95149605
3-[(4-fluorophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid
CID 66031746
N-[(4-fluorophenyl)methyl]-2-methylpiperidine-1-carbothioamide
CID 17380928
(2-methylpiperidin-1-yl)-[4-(methylsulfonylmethyl)phenyl]methanone
CID 42889122
2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 43958432

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide (CID 94811590) is 1-(4-fluorophenyl)-N-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide is C[C@@H]1CCCCN1C(=O)[C@@H](C)NS(=O)(=O)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide?
The InChIKey is ZDBMYBQRCVOKDJ-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H23FN2O3S/c1-12-5-3-4-10-19(12)16(20)13(2)18-23(21,22)11-14-6-8-15(17)9-7-14/h6-9,12-13,18H,3-5,10-11H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide?
1-(4-fluorophenyl)-N-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide has a molecular weight of 342.44 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide is sourced from PubChem (CID 94811590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).