3-fluoro-4-methyl-N-piperidin-1-ylbenzamide

C13H17FN2O — CID 9083904

IUPAC3-fluoro-4-methyl-N-piperidin-1-ylbenzamide
SMILESCc1ccc(C(=O)NN2CCCCC2)cc1F
InChIInChI=1S/C13H17FN2O/c1-10-5-6-11(9-12(10)14)13(17)15-16-7-3-2-4-8-16/h5-6,9H,2-4,7-8H2,1H3,(H,15,17)
InChIKeyYEZBYAUFDZBEIK-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.26
Rot. Bonds2

About 3-fluoro-4-methyl-N-piperidin-1-ylbenzamide

3-fluoro-4-methyl-N-piperidin-1-ylbenzamide (PubChem CID 9083904) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-piperidin-1-ylbenzamide
PubChem CID9083904
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name3-fluoro-4-methyl-N-piperidin-1-ylbenzamide
SMILESCc1ccc(C(=O)NN2CCCCC2)cc1F
InChIInChI=1S/C13H17FN2O/c1-10-5-6-11(9-12(10)14)13(17)15-16-7-3-2-4-8-16/h5-6,9H,2-4,7-8H2,1H3,(H,15,17)
InChIKeyYEZBYAUFDZBEIK-UHFFFAOYSA-N
XLogP2.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-4-methyl-N-piperidin-1-ylbenzamide
CID 115279771
3-amino-5-fluoro-4-methyl-N-piperidin-1-ylbenzamide
CID 83013511
3,5-difluoro-N-piperidin-1-yl-4-(propylamino)benzamide
CID 83016826
2-ethyl-1-(3-fluoro-4-methylphenyl)-2-pyrrolidin-1-ylbutan-1-one
CID 107128353
3-fluoro-4-methyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8546489
3-fluoro-4-methyl-N-[2-(5-pyrrolidin-1-ylpentanoylamino)ethyl]benzamide
CID 47078971
3-fluoro-4-methyl-N-[(1S)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]benzamide
CID 37168940
3-fluoro-4-methyl-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122326507
N-[2-(cyclopropylamino)ethyl]-3-fluoro-4-methylbenzamide
CID 62664386
3-fluoro-4-methyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 122318546
3-amino-N-piperidin-1-yl-4-(trifluoromethoxy)benzamide
CID 116628965
3-chloro-N-pyrrolidin-1-ylbenzamide
CID 54164805

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-piperidin-1-ylbenzamide?
The IUPAC name of 3-fluoro-4-methyl-N-piperidin-1-ylbenzamide (CID 9083904) is 3-fluoro-4-methyl-N-piperidin-1-ylbenzamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-piperidin-1-ylbenzamide?
The canonical SMILES for 3-fluoro-4-methyl-N-piperidin-1-ylbenzamide is Cc1ccc(C(=O)NN2CCCCC2)cc1F.
What is the InChIKey of 3-fluoro-4-methyl-N-piperidin-1-ylbenzamide?
The InChIKey is YEZBYAUFDZBEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-10-5-6-11(9-12(10)14)13(17)15-16-7-3-2-4-8-16/h5-6,9H,2-4,7-8H2,1H3,(H,15,17).
What are the key properties of 3-fluoro-4-methyl-N-piperidin-1-ylbenzamide?
3-fluoro-4-methyl-N-piperidin-1-ylbenzamide has a molecular weight of 236.29 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-piperidin-1-ylbenzamide is sourced from PubChem (CID 9083904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).