N-(2-fluoro-5-methylsulfonylphenyl)-4-methylpiperidine-4-carboxamide

C14H19FN2O3S — CID 63121700

IUPACN-(2-fluoro-5-methylsulfonylphenyl)-4-methylpiperidine-4-carboxamide
SMILESCC1(C(=O)Nc2cc(S(C)(=O)=O)ccc2F)CCNCC1
InChIInChI=1S/C14H19FN2O3S/c1-14(5-7-16-8-6-14)13(18)17-12-9-10(21(2,19)20)3-4-11(12)15/h3-4,9,16H,5-8H2,1-2H3,(H,17,18)
InChIKeyKQTFUKNONWEEJD-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.56
Rot. Bonds3

About N-(2-fluoro-5-methylsulfonylphenyl)-4-methylpiperidine-4-carboxamide

N-(2-fluoro-5-methylsulfonylphenyl)-4-methylpiperidine-4-carboxamide (PubChem CID 63121700) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is N-(2-fluoro-5-methylsulfonylphenyl)-4-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylsulfonylphenyl)-4-methylpiperidine-4-carboxamide
PubChem CID63121700
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC NameN-(2-fluoro-5-methylsulfonylphenyl)-4-methylpiperidine-4-carboxamide
SMILESCC1(C(=O)Nc2cc(S(C)(=O)=O)ccc2F)CCNCC1
InChIInChI=1S/C14H19FN2O3S/c1-14(5-7-16-8-6-14)13(18)17-12-9-10(21(2,19)20)3-4-11(12)15/h3-4,9,16H,5-8H2,1-2H3,(H,17,18)
InChIKeyKQTFUKNONWEEJD-UHFFFAOYSA-N
XLogP1.56
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpiperidine-3-carboxamide
CID 63130876
N-(2-hydroxy-5-methylsulfonylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 81433175
1-(aminomethyl)-N-(2-fluoro-5-methylsulfonylphenyl)cyclopropane-1-carboxamide
CID 115452495
N-(4-chloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide
CID 63121680
N-(5-chloro-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63138625
N-(2-fluoro-5-sulfamoylphenyl)-1-methylcyclohexane-1-carboxamide
CID 106828727
N-(4-bromo-2-fluorophenyl)-4-methylpiperidine-4-carboxamide
CID 63121522
N-(5-acetamido-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119705037
N-(5-carbamoyl-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119727613
N-[2-fluoro-5-[(4-methylpiperidin-4-yl)methylsulfamoyl]phenyl]acetamide;hydrochloride
CID 120720457
N-(4-fluoro-2-methylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121495
N-(2,6-difluorophenyl)-4-methylpiperidine-4-carboxamide
CID 55177937

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylsulfonylphenyl)-4-methylpiperidine-4-carboxamide?
The IUPAC name of N-(2-fluoro-5-methylsulfonylphenyl)-4-methylpiperidine-4-carboxamide (CID 63121700) is N-(2-fluoro-5-methylsulfonylphenyl)-4-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-fluoro-5-methylsulfonylphenyl)-4-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-fluoro-5-methylsulfonylphenyl)-4-methylpiperidine-4-carboxamide is CC1(C(=O)Nc2cc(S(C)(=O)=O)ccc2F)CCNCC1.
What is the InChIKey of N-(2-fluoro-5-methylsulfonylphenyl)-4-methylpiperidine-4-carboxamide?
The InChIKey is KQTFUKNONWEEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c1-14(5-7-16-8-6-14)13(18)17-12-9-10(21(2,19)20)3-4-11(12)15/h3-4,9,16H,5-8H2,1-2H3,(H,17,18).
What are the key properties of N-(2-fluoro-5-methylsulfonylphenyl)-4-methylpiperidine-4-carboxamide?
N-(2-fluoro-5-methylsulfonylphenyl)-4-methylpiperidine-4-carboxamide has a molecular weight of 314.38 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylsulfonylphenyl)-4-methylpiperidine-4-carboxamide is sourced from PubChem (CID 63121700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).