N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpiperidine-3-carboxamide

C14H19FN2O3S — CID 63130876

IUPACN-(2-fluoro-5-methylsulfonylphenyl)-3-methylpiperidine-3-carboxamide
SMILESCC1(C(=O)Nc2cc(S(C)(=O)=O)ccc2F)CCCNC1
InChIInChI=1S/C14H19FN2O3S/c1-14(6-3-7-16-9-14)13(18)17-12-8-10(21(2,19)20)4-5-11(12)15/h4-5,8,16H,3,6-7,9H2,1-2H3,(H,17,18)
InChIKeyBUNMHEDWNOIVOJ-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.56
Rot. Bonds3

About N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpiperidine-3-carboxamide

N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpiperidine-3-carboxamide (PubChem CID 63130876) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylsulfonylphenyl)-3-methylpiperidine-3-carboxamide
PubChem CID63130876
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC NameN-(2-fluoro-5-methylsulfonylphenyl)-3-methylpiperidine-3-carboxamide
SMILESCC1(C(=O)Nc2cc(S(C)(=O)=O)ccc2F)CCCNC1
InChIInChI=1S/C14H19FN2O3S/c1-14(6-3-7-16-9-14)13(18)17-12-8-10(21(2,19)20)4-5-11(12)15/h4-5,8,16H,3,6-7,9H2,1-2H3,(H,17,18)
InChIKeyBUNMHEDWNOIVOJ-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)-4-methylpiperidine-4-carboxamide
CID 63121700
N-(2-hydroxy-5-methylsulfonylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 81433175
N-(2-fluoro-5-sulfamoylphenyl)-1-methylcyclohexane-1-carboxamide
CID 106828727
1-(aminomethyl)-N-(2-fluoro-5-methylsulfonylphenyl)cyclopropane-1-carboxamide
CID 115452495
N-(5-chloro-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63138625
4,5-difluoro-2-[(3-methylpiperidine-3-carbonyl)amino]benzoic acid
CID 63132812
5-chloro-2-[(3-methylpiperidine-3-carbonyl)amino]benzoic acid
CID 63131916
4-chloro-2-[(3-methylpiperidine-3-carbonyl)amino]benzoic acid
CID 63131872
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-(4-fluoro-2-methoxyphenyl)-3-methylpiperidine-3-carboxamide
CID 55166819
N-(5-chloro-2-fluorophenyl)-3-ethylpiperidine-3-carboxamide
CID 63130400

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpiperidine-3-carboxamide?
The IUPAC name of N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpiperidine-3-carboxamide (CID 63130876) is N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpiperidine-3-carboxamide is CC1(C(=O)Nc2cc(S(C)(=O)=O)ccc2F)CCCNC1.
What is the InChIKey of N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpiperidine-3-carboxamide?
The InChIKey is BUNMHEDWNOIVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c1-14(6-3-7-16-9-14)13(18)17-12-8-10(21(2,19)20)4-5-11(12)15/h4-5,8,16H,3,6-7,9H2,1-2H3,(H,17,18).
What are the key properties of N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpiperidine-3-carboxamide?
N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpiperidine-3-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)-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 63130876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).