2-fluoro-3-methyl-N-(3-methylpiperidin-4-yl)benzamide

C14H19FN2O — CID 81480777

IUPAC2-fluoro-3-methyl-N-(3-methylpiperidin-4-yl)benzamide
SMILESCc1cccc(C(=O)NC2CCNCC2C)c1F
InChIInChI=1S/C14H19FN2O/c1-9-4-3-5-11(13(9)15)14(18)17-12-6-7-16-8-10(12)2/h3-5,10,12,16H,6-8H2,1-2H3,(H,17,18)
InChIKeyNPYZWQUQEDDRLJ-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.86
Rot. Bonds2

About 2-fluoro-3-methyl-N-(3-methylpiperidin-4-yl)benzamide

2-fluoro-3-methyl-N-(3-methylpiperidin-4-yl)benzamide (PubChem CID 81480777) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-(3-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-(3-methylpiperidin-4-yl)benzamide
PubChem CID81480777
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name2-fluoro-3-methyl-N-(3-methylpiperidin-4-yl)benzamide
SMILESCc1cccc(C(=O)NC2CCNCC2C)c1F
InChIInChI=1S/C14H19FN2O/c1-9-4-3-5-11(13(9)15)14(18)17-12-6-7-16-8-10(12)2/h3-5,10,12,16H,6-8H2,1-2H3,(H,17,18)
InChIKeyNPYZWQUQEDDRLJ-UHFFFAOYSA-N
XLogP1.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(3R,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516930
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 79886711
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556103
2-fluoro-3-methyl-N-piperidin-4-ylbenzamide
CID 81459818
N-(2,3-dimethylcyclohexyl)-2-fluoro-3-methylbenzamide
CID 80718134
N-(2,6-dimethylpiperidin-3-yl)-2-fluoro-3-methylbenzamide
CID 81480968
2-methyl-N-(3-methylpiperidin-4-yl)-3-nitrobenzamide
CID 120556205
2,4-difluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 79887319
5-chloro-2-fluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 120557983
2,5-difluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516939
N-(azetidin-3-yl)-2-fluoro-3-methylbenzamide
CID 81477193
4-methyl-N-(3-methylpiperidin-4-yl)thiophene-3-carboxamide
CID 120557568

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-(3-methylpiperidin-4-yl)benzamide?
The IUPAC name of 2-fluoro-3-methyl-N-(3-methylpiperidin-4-yl)benzamide (CID 81480777) is 2-fluoro-3-methyl-N-(3-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-fluoro-3-methyl-N-(3-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-fluoro-3-methyl-N-(3-methylpiperidin-4-yl)benzamide is Cc1cccc(C(=O)NC2CCNCC2C)c1F.
What is the InChIKey of 2-fluoro-3-methyl-N-(3-methylpiperidin-4-yl)benzamide?
The InChIKey is NPYZWQUQEDDRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-9-4-3-5-11(13(9)15)14(18)17-12-6-7-16-8-10(12)2/h3-5,10,12,16H,6-8H2,1-2H3,(H,17,18).
What are the key properties of 2-fluoro-3-methyl-N-(3-methylpiperidin-4-yl)benzamide?
2-fluoro-3-methyl-N-(3-methylpiperidin-4-yl)benzamide has a molecular weight of 250.32 g/mol, XLogP of 1.86, 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-(3-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 81480777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).