5-fluoro-N-(3-hydroxy-1-methylpiperidin-4-yl)-2-methylbenzamide

C14H19FN2O2 — CID 134434493

IUPAC5-fluoro-N-(3-hydroxy-1-methylpiperidin-4-yl)-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)NC1CCN(C)CC1O
InChIInChI=1S/C14H19FN2O2/c1-9-3-4-10(15)7-11(9)14(19)16-12-5-6-17(2)8-13(12)18/h3-4,7,12-13,18H,5-6,8H2,1-2H3,(H,16,19)
InChIKeyXRRDLXFZBXNVBW-UHFFFAOYSA-N
MW266.32 g/mol
LogP0.93
Rot. Bonds2

About 5-fluoro-N-(3-hydroxy-1-methylpiperidin-4-yl)-2-methylbenzamide

5-fluoro-N-(3-hydroxy-1-methylpiperidin-4-yl)-2-methylbenzamide (PubChem CID 134434493) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 5-fluoro-N-(3-hydroxy-1-methylpiperidin-4-yl)-2-methylbenzamide.

Molecular Properties

Compound Name5-fluoro-N-(3-hydroxy-1-methylpiperidin-4-yl)-2-methylbenzamide
PubChem CID134434493
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name5-fluoro-N-(3-hydroxy-1-methylpiperidin-4-yl)-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)NC1CCN(C)CC1O
InChIInChI=1S/C14H19FN2O2/c1-9-3-4-10(15)7-11(9)14(19)16-12-5-6-17(2)8-13(12)18/h3-4,7,12-13,18H,5-6,8H2,1-2H3,(H,16,19)
InChIKeyXRRDLXFZBXNVBW-UHFFFAOYSA-N
XLogP0.93
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(3-hydroxy-1-methylpiperidin-4-yl)-2-methylbenzamide?
The IUPAC name of 5-fluoro-N-(3-hydroxy-1-methylpiperidin-4-yl)-2-methylbenzamide (CID 134434493) is 5-fluoro-N-(3-hydroxy-1-methylpiperidin-4-yl)-2-methylbenzamide.
What is the SMILES notation for 5-fluoro-N-(3-hydroxy-1-methylpiperidin-4-yl)-2-methylbenzamide?
The canonical SMILES for 5-fluoro-N-(3-hydroxy-1-methylpiperidin-4-yl)-2-methylbenzamide is Cc1ccc(F)cc1C(=O)NC1CCN(C)CC1O.
What is the InChIKey of 5-fluoro-N-(3-hydroxy-1-methylpiperidin-4-yl)-2-methylbenzamide?
The InChIKey is XRRDLXFZBXNVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-9-3-4-10(15)7-11(9)14(19)16-12-5-6-17(2)8-13(12)18/h3-4,7,12-13,18H,5-6,8H2,1-2H3,(H,16,19).
What are the key properties of 5-fluoro-N-(3-hydroxy-1-methylpiperidin-4-yl)-2-methylbenzamide?
5-fluoro-N-(3-hydroxy-1-methylpiperidin-4-yl)-2-methylbenzamide has a molecular weight of 266.32 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(3-hydroxy-1-methylpiperidin-4-yl)-2-methylbenzamide is sourced from PubChem (CID 134434493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).