5-fluoro-2-methyl-N-[(3S,4S)-4-methylpiperidin-3-yl]benzamide

C14H19FN2O — CID 95401845

IUPAC5-fluoro-2-methyl-N-[(3S,4S)-4-methylpiperidin-3-yl]benzamide
SMILESCc1ccc(F)cc1C(=O)N[C@@H]1CNCC[C@@H]1C
InChIInChI=1S/C14H19FN2O/c1-9-3-4-11(15)7-12(9)14(18)17-13-8-16-6-5-10(13)2/h3-4,7,10,13,16H,5-6,8H2,1-2H3,(H,17,18)/t10-,13+/m0/s1
InChIKeyPSOIICPIYZRMPD-GXFFZTMASA-N
MW250.32 g/mol
LogP1.86
Rot. Bonds2

About 5-fluoro-2-methyl-N-[(3S,4S)-4-methylpiperidin-3-yl]benzamide

5-fluoro-2-methyl-N-[(3S,4S)-4-methylpiperidin-3-yl]benzamide (PubChem CID 95401845) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-[(3S,4S)-4-methylpiperidin-3-yl]benzamide.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-[(3S,4S)-4-methylpiperidin-3-yl]benzamide
PubChem CID95401845
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name5-fluoro-2-methyl-N-[(3S,4S)-4-methylpiperidin-3-yl]benzamide
SMILESCc1ccc(F)cc1C(=O)N[C@@H]1CNCC[C@@H]1C
InChIInChI=1S/C14H19FN2O/c1-9-3-4-11(15)7-12(9)14(18)17-13-8-16-6-5-10(13)2/h3-4,7,10,13,16H,5-6,8H2,1-2H3,(H,17,18)/t10-,13+/m0/s1
InChIKeyPSOIICPIYZRMPD-GXFFZTMASA-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

2,5-dimethyl-N-(4-methylpiperidin-3-yl)benzamide
CID 63325964
2,4-difluoro-N-[(3R,4R)-4-methylpiperidin-3-yl]benzamide
CID 95401781
5-fluoro-2-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389522
2,5-difluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516939
3,5-difluoro-N-(4-methylpiperidin-3-yl)benzamide
CID 63326352
2,4-difluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 79887319
4-fluoro-2-methyl-N-[(3R)-piperidin-3-yl]benzamide
CID 113436694
2-bromo-5-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79687966
2-methyl-N-[(3R,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516930
2-fluoro-3-methyl-N-(3-methylpiperidin-4-yl)benzamide
CID 81480777
5-chloro-2-fluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 120557983
2-fluoro-4-(4-fluorophenyl)-N-(3-methylpiperidin-4-yl)benzamide
CID 120555140

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-[(3S,4S)-4-methylpiperidin-3-yl]benzamide?
The IUPAC name of 5-fluoro-2-methyl-N-[(3S,4S)-4-methylpiperidin-3-yl]benzamide (CID 95401845) is 5-fluoro-2-methyl-N-[(3S,4S)-4-methylpiperidin-3-yl]benzamide.
What is the SMILES notation for 5-fluoro-2-methyl-N-[(3S,4S)-4-methylpiperidin-3-yl]benzamide?
The canonical SMILES for 5-fluoro-2-methyl-N-[(3S,4S)-4-methylpiperidin-3-yl]benzamide is Cc1ccc(F)cc1C(=O)N[C@@H]1CNCC[C@@H]1C.
What is the InChIKey of 5-fluoro-2-methyl-N-[(3S,4S)-4-methylpiperidin-3-yl]benzamide?
The InChIKey is PSOIICPIYZRMPD-GXFFZTMASA-N. The full InChI is InChI=1S/C14H19FN2O/c1-9-3-4-11(15)7-12(9)14(18)17-13-8-16-6-5-10(13)2/h3-4,7,10,13,16H,5-6,8H2,1-2H3,(H,17,18)/t10-,13+/m0/s1.
What are the key properties of 5-fluoro-2-methyl-N-[(3S,4S)-4-methylpiperidin-3-yl]benzamide?
5-fluoro-2-methyl-N-[(3S,4S)-4-methylpiperidin-3-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 5-fluoro-2-methyl-N-[(3S,4S)-4-methylpiperidin-3-yl]benzamide is sourced from PubChem (CID 95401845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).