N-[2-(4-fluorophenyl)-2-hydroxypropyl]-1-methylsulfonylpiperidine-4-carboxamide

C16H23FN2O4S — CID 110291411

IUPACN-[2-(4-fluorophenyl)-2-hydroxypropyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCC(O)(CNC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc(F)cc1
InChIInChI=1S/C16H23FN2O4S/c1-16(21,13-3-5-14(17)6-4-13)11-18-15(20)12-7-9-19(10-8-12)24(2,22)23/h3-6,12,21H,7-11H2,1-2H3,(H,18,20)
InChIKeyNLKPLFBPTFFPKP-UHFFFAOYSA-N
MW358.44 g/mol
LogP0.82
Rot. Bonds5

About N-[2-(4-fluorophenyl)-2-hydroxypropyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[2-(4-fluorophenyl)-2-hydroxypropyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 110291411) has the molecular formula C16H23FN2O4S and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-hydroxypropyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-hydroxypropyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID110291411
Molecular FormulaC16H23FN2O4S
Molecular Weight358.44 g/mol
Exact Mass358.14
IUPAC NameN-[2-(4-fluorophenyl)-2-hydroxypropyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCC(O)(CNC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc(F)cc1
InChIInChI=1S/C16H23FN2O4S/c1-16(21,13-3-5-14(17)6-4-13)11-18-15(20)12-7-9-19(10-8-12)24(2,22)23/h3-6,12,21H,7-11H2,1-2H3,(H,18,20)
InChIKeyNLKPLFBPTFFPKP-UHFFFAOYSA-N
XLogP0.82
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 56765460
N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclohex-3-enecarboxamide
CID 71796702
N-(2-(2-fluorophenyl)-2-methoxypropyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 71810637
N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 71782164
N-(2-hydroxy-2-phenylpropyl)cyclohex-3-enecarboxamide
CID 71796886
N-[(S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1-mesyl-4-piperidinecarboxamide
CID 95379448
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-propylsulfonylpropanamide
CID 53596851
1-methanesulfonyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide
CID 71781986
4-[4-[bis(3-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-N-methylbutanamide
CID 19992264
4-[4-[(4-fluorophenyl)-hydroxy-phenylmethyl]piperidin-1-yl]-N-methylbutanamide
CID 19992270
4-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-N-methylbutanamide
CID 19992320
N-[2-[2-fluoro-4-[4-[2-hydroxy-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]phenyl]ethyl]-2-methylpropanamide
CID 22176543

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxypropyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxypropyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 110291411) is N-[2-(4-fluorophenyl)-2-hydroxypropyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-hydroxypropyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-hydroxypropyl]-1-methylsulfonylpiperidine-4-carboxamide is CC(O)(CNC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-hydroxypropyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is NLKPLFBPTFFPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O4S/c1-16(21,13-3-5-14(17)6-4-13)11-18-15(20)12-7-9-19(10-8-12)24(2,22)23/h3-6,12,21H,7-11H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(4-fluorophenyl)-2-hydroxypropyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[2-(4-fluorophenyl)-2-hydroxypropyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-hydroxypropyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 110291411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).