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

C16H23FN2O — CID 63213435

IUPAC4-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)benzamide
SMILESCc1cc(C(=O)NC(C)CN2CCCCC2)ccc1F
InChIInChI=1S/C16H23FN2O/c1-12-10-14(6-7-15(12)17)16(20)18-13(2)11-19-8-4-3-5-9-19/h6-7,10,13H,3-5,8-9,11H2,1-2H3,(H,18,20)
InChIKeyYUPOSERXAOOJFE-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.74
Rot. Bonds4

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

4-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)benzamide (PubChem CID 63213435) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)benzamide
PubChem CID63213435
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name4-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)benzamide
SMILESCc1cc(C(=O)NC(C)CN2CCCCC2)ccc1F
InChIInChI=1S/C16H23FN2O/c1-12-10-14(6-7-15(12)17)16(20)18-13(2)11-19-8-4-3-5-9-19/h6-7,10,13H,3-5,8-9,11H2,1-2H3,(H,18,20)
InChIKeyYUPOSERXAOOJFE-UHFFFAOYSA-N
XLogP2.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-3-methylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one
CID 82122225
4-fluoro-3-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 61217350
4-fluoro-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 112702718
3-iodo-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 54937836
2-fluoro-N-(1-piperidin-1-ylpropan-2-yl)-5-sulfanylbenzamide
CID 107025381
N-(4-bromobutan-2-yl)-4-fluoro-3-methylbenzamide
CID 83178455
N-(1-piperidin-1-ylpropan-2-yl)-3-sulfanylbenzamide
CID 107025389
3-amino-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride
CID 119851488
4-fluoro-3-methyl-N-(4,4,4-trifluorobutan-2-yl)benzamide
CID 113461612
N-(4-amino-4-oxobutan-2-yl)-4-fluoro-3-methylbenzamide
CID 115649751
4-amino-3-methoxy-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 104782742
N-(1-piperidin-1-ylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide
CID 112841502

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)benzamide?
The IUPAC name of 4-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)benzamide (CID 63213435) is 4-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)benzamide?
The canonical SMILES for 4-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)benzamide is Cc1cc(C(=O)NC(C)CN2CCCCC2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)benzamide?
The InChIKey is YUPOSERXAOOJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-12-10-14(6-7-15(12)17)16(20)18-13(2)11-19-8-4-3-5-9-19/h6-7,10,13H,3-5,8-9,11H2,1-2H3,(H,18,20).
What are the key properties of 4-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)benzamide?
4-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)benzamide has a molecular weight of 278.37 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)benzamide is sourced from PubChem (CID 63213435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).