5-fluoro-2-methyl-N-piperidin-4-ylbenzamide;hydrochloride

C13H18ClFN2O — CID 119389522

IUPAC5-fluoro-2-methyl-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCc1ccc(F)cc1C(=O)NC1CCNCC1.Cl
InChIInChI=1S/C13H17FN2O.ClH/c1-9-2-3-10(14)8-12(9)13(17)16-11-4-6-15-7-5-11;/h2-3,8,11,15H,4-7H2,1H3,(H,16,17);1H
InChIKeyYKIYPLNOZLENTM-UHFFFAOYSA-N
MW272.75 g/mol
LogP2.04
Rot. Bonds2

About 5-fluoro-2-methyl-N-piperidin-4-ylbenzamide;hydrochloride

5-fluoro-2-methyl-N-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 119389522) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-piperidin-4-ylbenzamide;hydrochloride
PubChem CID119389522
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC Name5-fluoro-2-methyl-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCc1ccc(F)cc1C(=O)NC1CCNCC1.Cl
InChIInChI=1S/C13H17FN2O.ClH/c1-9-2-3-10(14)8-12(9)13(17)16-11-4-6-15-7-5-11;/h2-3,8,11,15H,4-7H2,1H3,(H,16,17);1H
InChIKeyYKIYPLNOZLENTM-UHFFFAOYSA-N
XLogP2.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-difluoro-N-piperidin-4-ylbenzamide
CID 24690587
5-fluoro-2-hydroxy-N-piperidin-4-ylbenzamide
CID 115298625
5-fluoro-2-methyl-N-[(3S,4S)-4-methylpiperidin-3-yl]benzamide
CID 95401845
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-piperidin-4-ylbenzamide
CID 119386331
2,4-difluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119386244
2-fluoro-4-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389290
2-fluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387686
2-fluoro-3-methyl-N-piperidin-4-ylbenzamide
CID 81459818
N-cyclopentyl-2-methyl-5-piperidin-4-ylbenzamide;hydrochloride
CID 171361893
2-bromo-5-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79687966
4-fluoro-2-methyl-N-[(3R)-piperidin-3-yl]benzamide
CID 113436694
4-(3,4-dimethylphenyl)-2-fluoro-N-piperidin-4-ylbenzamide
CID 119388030

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of 5-fluoro-2-methyl-N-piperidin-4-ylbenzamide;hydrochloride (CID 119389522) is 5-fluoro-2-methyl-N-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for 5-fluoro-2-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for 5-fluoro-2-methyl-N-piperidin-4-ylbenzamide;hydrochloride is Cc1ccc(F)cc1C(=O)NC1CCNCC1.Cl.
What is the InChIKey of 5-fluoro-2-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is YKIYPLNOZLENTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O.ClH/c1-9-2-3-10(14)8-12(9)13(17)16-11-4-6-15-7-5-11;/h2-3,8,11,15H,4-7H2,1H3,(H,16,17);1H.
What are the key properties of 5-fluoro-2-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
5-fluoro-2-methyl-N-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 272.75 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-N-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 119389522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).