3-fluoro-5-methyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride

C14H20ClFN2O — CID 120555221

IUPAC3-fluoro-5-methyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
SMILESCc1cc(F)cc(C(=O)NC2CCNCC2C)c1.Cl
InChIInChI=1S/C14H19FN2O.ClH/c1-9-5-11(7-12(15)6-9)14(18)17-13-3-4-16-8-10(13)2;/h5-7,10,13,16H,3-4,8H2,1-2H3,(H,17,18);1H
InChIKeyWSRFKDRFNZOVMO-UHFFFAOYSA-N
MW286.78 g/mol
LogP2.28
Rot. Bonds2

About 3-fluoro-5-methyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride

3-fluoro-5-methyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride (PubChem CID 120555221) has the molecular formula C14H20ClFN2O and a molecular weight of 286.78 g/mol. Its IUPAC name is 3-fluoro-5-methyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-fluoro-5-methyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
PubChem CID120555221
Molecular FormulaC14H20ClFN2O
Molecular Weight286.78 g/mol
Exact Mass286.12
IUPAC Name3-fluoro-5-methyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
SMILESCc1cc(F)cc(C(=O)NC2CCNCC2C)c1.Cl
InChIInChI=1S/C14H19FN2O.ClH/c1-9-5-11(7-12(15)6-9)14(18)17-13-3-4-16-8-10(13)2;/h5-7,10,13,16H,3-4,8H2,1-2H3,(H,17,18);1H
InChIKeyWSRFKDRFNZOVMO-UHFFFAOYSA-N
XLogP2.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-difluoro-N-(4-methylpiperidin-3-yl)benzamide
CID 63326352
2,4,6-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516935
3-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzamide
CID 99618356
3,5-dimethoxy-4-methyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556165
4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557720
2,5-difluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516939
2,4-difluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 79887319
N-(3-methylpiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 79886798
3-N-(3-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 120555486
5-fluoro-3-methyl-N-(3-methylpiperidin-4-yl)-2-nitrobenzamide
CID 120553465
5-chloro-2-fluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 120557983
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556103

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride?
The IUPAC name of 3-fluoro-5-methyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride (CID 120555221) is 3-fluoro-5-methyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride.
What is the SMILES notation for 3-fluoro-5-methyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride?
The canonical SMILES for 3-fluoro-5-methyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride is Cc1cc(F)cc(C(=O)NC2CCNCC2C)c1.Cl.
What is the InChIKey of 3-fluoro-5-methyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride?
The InChIKey is WSRFKDRFNZOVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O.ClH/c1-9-5-11(7-12(15)6-9)14(18)17-13-3-4-16-8-10(13)2;/h5-7,10,13,16H,3-4,8H2,1-2H3,(H,17,18);1H.
What are the key properties of 3-fluoro-5-methyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride?
3-fluoro-5-methyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride has a molecular weight of 286.78 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride is sourced from PubChem (CID 120555221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).