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

C16H25FN2O2 — CID 142326863

IUPACethane;5-fluoro-N-(3-hydroxy-1-methylpiperidin-4-yl)-2-methylbenzamide
SMILESCC.Cc1ccc(F)cc1C(=O)NC1CCN(C)CC1O
InChIInChI=1S/C14H19FN2O2.C2H6/c1-9-3-4-10(15)7-11(9)14(19)16-12-5-6-17(2)8-13(12)18;1-2/h3-4,7,12-13,18H,5-6,8H2,1-2H3,(H,16,19);1-2H3
InChIKeyJJYXWUARSWCUSA-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.96
Rot. Bonds2

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

ethane;5-fluoro-N-(3-hydroxy-1-methylpiperidin-4-yl)-2-methylbenzamide (PubChem CID 142326863) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is ethane;5-fluoro-N-(3-hydroxy-1-methylpiperidin-4-yl)-2-methylbenzamide.

Molecular Properties

Compound Nameethane;5-fluoro-N-(3-hydroxy-1-methylpiperidin-4-yl)-2-methylbenzamide
PubChem CID142326863
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Nameethane;5-fluoro-N-(3-hydroxy-1-methylpiperidin-4-yl)-2-methylbenzamide
SMILESCC.Cc1ccc(F)cc1C(=O)NC1CCN(C)CC1O
InChIInChI=1S/C14H19FN2O2.C2H6/c1-9-3-4-10(15)7-11(9)14(19)16-12-5-6-17(2)8-13(12)18;1-2/h3-4,7,12-13,18H,5-6,8H2,1-2H3,(H,16,19);1-2H3
InChIKeyJJYXWUARSWCUSA-UHFFFAOYSA-N
XLogP1.96
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;5-fluoro-N-(3-hydroxy-1-methylpiperidin-4-yl)-2-methylbenzamide?
The IUPAC name of ethane;5-fluoro-N-(3-hydroxy-1-methylpiperidin-4-yl)-2-methylbenzamide (CID 142326863) is ethane;5-fluoro-N-(3-hydroxy-1-methylpiperidin-4-yl)-2-methylbenzamide.
What is the SMILES notation for ethane;5-fluoro-N-(3-hydroxy-1-methylpiperidin-4-yl)-2-methylbenzamide?
The canonical SMILES for ethane;5-fluoro-N-(3-hydroxy-1-methylpiperidin-4-yl)-2-methylbenzamide is CC.Cc1ccc(F)cc1C(=O)NC1CCN(C)CC1O.
What is the InChIKey of ethane;5-fluoro-N-(3-hydroxy-1-methylpiperidin-4-yl)-2-methylbenzamide?
The InChIKey is JJYXWUARSWCUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2.C2H6/c1-9-3-4-10(15)7-11(9)14(19)16-12-5-6-17(2)8-13(12)18;1-2/h3-4,7,12-13,18H,5-6,8H2,1-2H3,(H,16,19);1-2H3.
What are the key properties of ethane;5-fluoro-N-(3-hydroxy-1-methylpiperidin-4-yl)-2-methylbenzamide?
ethane;5-fluoro-N-(3-hydroxy-1-methylpiperidin-4-yl)-2-methylbenzamide has a molecular weight of 296.39 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-fluoro-N-(3-hydroxy-1-methylpiperidin-4-yl)-2-methylbenzamide is sourced from PubChem (CID 142326863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).