N-(2,6-dimethylpiperidin-3-yl)-2-fluoro-3-methylbenzamide

C15H21FN2O — CID 81480968

IUPACN-(2,6-dimethylpiperidin-3-yl)-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CCC(C)NC2C)c1F
InChIInChI=1S/C15H21FN2O/c1-9-5-4-6-12(14(9)16)15(19)18-13-8-7-10(2)17-11(13)3/h4-6,10-11,13,17H,7-8H2,1-3H3,(H,18,19)
InChIKeyDBRGHSUVEORGFH-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.39
Rot. Bonds2

About N-(2,6-dimethylpiperidin-3-yl)-2-fluoro-3-methylbenzamide

N-(2,6-dimethylpiperidin-3-yl)-2-fluoro-3-methylbenzamide (PubChem CID 81480968) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is N-(2,6-dimethylpiperidin-3-yl)-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(2,6-dimethylpiperidin-3-yl)-2-fluoro-3-methylbenzamide
PubChem CID81480968
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC NameN-(2,6-dimethylpiperidin-3-yl)-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CCC(C)NC2C)c1F
InChIInChI=1S/C15H21FN2O/c1-9-5-4-6-12(14(9)16)15(19)18-13-8-7-10(2)17-11(13)3/h4-6,10-11,13,17H,7-8H2,1-3H3,(H,18,19)
InChIKeyDBRGHSUVEORGFH-UHFFFAOYSA-N
XLogP2.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylpiperidin-3-yl)-2-fluoro-3-methylbenzamide?
The IUPAC name of N-(2,6-dimethylpiperidin-3-yl)-2-fluoro-3-methylbenzamide (CID 81480968) is N-(2,6-dimethylpiperidin-3-yl)-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(2,6-dimethylpiperidin-3-yl)-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-(2,6-dimethylpiperidin-3-yl)-2-fluoro-3-methylbenzamide is Cc1cccc(C(=O)NC2CCC(C)NC2C)c1F.
What is the InChIKey of N-(2,6-dimethylpiperidin-3-yl)-2-fluoro-3-methylbenzamide?
The InChIKey is DBRGHSUVEORGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-9-5-4-6-12(14(9)16)15(19)18-13-8-7-10(2)17-11(13)3/h4-6,10-11,13,17H,7-8H2,1-3H3,(H,18,19).
What are the key properties of N-(2,6-dimethylpiperidin-3-yl)-2-fluoro-3-methylbenzamide?
N-(2,6-dimethylpiperidin-3-yl)-2-fluoro-3-methylbenzamide has a molecular weight of 264.34 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylpiperidin-3-yl)-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 81480968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).