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

C13H17FN2O — CID 81459818

IUPAC2-fluoro-3-methyl-N-piperidin-4-ylbenzamide
SMILESCc1cccc(C(=O)NC2CCNCC2)c1F
InChIInChI=1S/C13H17FN2O/c1-9-3-2-4-11(12(9)14)13(17)16-10-5-7-15-8-6-10/h2-4,10,15H,5-8H2,1H3,(H,16,17)
InChIKeyKJXFUFBDCPIKJW-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.62
Rot. Bonds2

About 2-fluoro-3-methyl-N-piperidin-4-ylbenzamide

2-fluoro-3-methyl-N-piperidin-4-ylbenzamide (PubChem CID 81459818) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-piperidin-4-ylbenzamide
PubChem CID81459818
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name2-fluoro-3-methyl-N-piperidin-4-ylbenzamide
SMILESCc1cccc(C(=O)NC2CCNCC2)c1F
InChIInChI=1S/C13H17FN2O/c1-9-3-2-4-11(12(9)14)13(17)16-10-5-7-15-8-6-10/h2-4,10,15H,5-8H2,1H3,(H,16,17)
InChIKeyKJXFUFBDCPIKJW-UHFFFAOYSA-N
XLogP1.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclobutyl-2-fluoro-3-methylbenzamide
CID 80712137
N-(azetidin-3-yl)-2-fluoro-3-methylbenzamide
CID 81477193
N-cycloheptyl-2-fluoro-3-methylbenzamide
CID 80719060
2-iodo-3-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387158
N-(azepan-4-yl)-2,3-dimethylbenzamide
CID 105060973
2-fluoro-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 80710862
N-[4-(ethylamino)cyclohexyl]-2-fluoro-3-methylbenzamide
CID 81481989
2-fluoro-3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 80712340
2-fluoro-3-methyl-N-(2-piperidin-4-ylethyl)benzamide
CID 81479636
2-fluoro-3-methyl-N-(3-methylpiperidin-4-yl)benzamide
CID 81480777
N-(5-azaspiro[3.5]nonan-8-yl)-2-fluoro-3-methylbenzamide
CID 81477428
5-fluoro-2-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389522

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-piperidin-4-ylbenzamide?
The IUPAC name of 2-fluoro-3-methyl-N-piperidin-4-ylbenzamide (CID 81459818) is 2-fluoro-3-methyl-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 2-fluoro-3-methyl-N-piperidin-4-ylbenzamide?
The canonical SMILES for 2-fluoro-3-methyl-N-piperidin-4-ylbenzamide is Cc1cccc(C(=O)NC2CCNCC2)c1F.
What is the InChIKey of 2-fluoro-3-methyl-N-piperidin-4-ylbenzamide?
The InChIKey is KJXFUFBDCPIKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-9-3-2-4-11(12(9)14)13(17)16-10-5-7-15-8-6-10/h2-4,10,15H,5-8H2,1H3,(H,16,17).
What are the key properties of 2-fluoro-3-methyl-N-piperidin-4-ylbenzamide?
2-fluoro-3-methyl-N-piperidin-4-ylbenzamide has a molecular weight of 236.29 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 81459818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).