4-fluoro-2-methyl-N-(1-methylpiperidin-3-yl)benzamide

C14H19FN2O — CID 112702652

IUPAC4-fluoro-2-methyl-N-(1-methylpiperidin-3-yl)benzamide
SMILESCc1cc(F)ccc1C(=O)NC1CCCN(C)C1
InChIInChI=1S/C14H19FN2O/c1-10-8-11(15)5-6-13(10)14(18)16-12-4-3-7-17(2)9-12/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,16,18)
InChIKeyQMCGJEJWHXHFDB-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.96
Rot. Bonds2

About 4-fluoro-2-methyl-N-(1-methylpiperidin-3-yl)benzamide

4-fluoro-2-methyl-N-(1-methylpiperidin-3-yl)benzamide (PubChem CID 112702652) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-(1-methylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-(1-methylpiperidin-3-yl)benzamide
PubChem CID112702652
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name4-fluoro-2-methyl-N-(1-methylpiperidin-3-yl)benzamide
SMILESCc1cc(F)ccc1C(=O)NC1CCCN(C)C1
InChIInChI=1S/C14H19FN2O/c1-10-8-11(15)5-6-13(10)14(18)16-12-4-3-7-17(2)9-12/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,16,18)
InChIKeyQMCGJEJWHXHFDB-UHFFFAOYSA-N
XLogP1.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)benzamide
CID 61223453
5-amino-2,4-dimethyl-N-(1-methylpiperidin-3-yl)benzamide
CID 102705323
4-fluoro-2-methyl-N-[(3R)-piperidin-3-yl]benzamide
CID 113436694
3-amino-2,5-difluoro-N-(1-methylpiperidin-3-yl)benzamide
CID 107120812
3-amino-4-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 61211762
ethyl 4-[(3S)-3-[(4-fluoro-2-methylbenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate
CID 46873779
ethyl 4-[(3R)-3-[(4-fluoro-2-methylbenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate
CID 46873657
2,4-dibromo-N-(1-methylpiperidin-3-yl)benzamide
CID 103882624
N-(4-ethylcyclohexyl)-4-fluoro-2-methylbenzamide
CID 112702388
2-hydroxy-N-(1-methylpiperidin-3-yl)benzamide
CID 47344376
4-fluoro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 47368477
3-bromo-4-fluoro-N-(1-methylpiperidin-3-yl)benzamide
CID 103707349

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-(1-methylpiperidin-3-yl)benzamide?
The IUPAC name of 4-fluoro-2-methyl-N-(1-methylpiperidin-3-yl)benzamide (CID 112702652) is 4-fluoro-2-methyl-N-(1-methylpiperidin-3-yl)benzamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-(1-methylpiperidin-3-yl)benzamide?
The canonical SMILES for 4-fluoro-2-methyl-N-(1-methylpiperidin-3-yl)benzamide is Cc1cc(F)ccc1C(=O)NC1CCCN(C)C1.
What is the InChIKey of 4-fluoro-2-methyl-N-(1-methylpiperidin-3-yl)benzamide?
The InChIKey is QMCGJEJWHXHFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-10-8-11(15)5-6-13(10)14(18)16-12-4-3-7-17(2)9-12/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,16,18).
What are the key properties of 4-fluoro-2-methyl-N-(1-methylpiperidin-3-yl)benzamide?
4-fluoro-2-methyl-N-(1-methylpiperidin-3-yl)benzamide has a molecular weight of 250.32 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-(1-methylpiperidin-3-yl)benzamide is sourced from PubChem (CID 112702652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).