N-(1,4-dimethylpiperidin-4-yl)-2,3,6-trifluorobenzamide;ethane

C16H23F3N2O — CID 142327101

IUPACN-(1,4-dimethylpiperidin-4-yl)-2,3,6-trifluorobenzamide;ethane
SMILESCC.CN1CCC(C)(NC(=O)c2c(F)ccc(F)c2F)CC1
InChIInChI=1S/C14H17F3N2O.C2H6/c1-14(5-7-19(2)8-6-14)18-13(20)11-9(15)3-4-10(16)12(11)17;1-2/h3-4H,5-8H2,1-2H3,(H,18,20);1-2H3
InChIKeyVLXRSQPXOLPLJA-UHFFFAOYSA-N
MW316.37 g/mol
LogP3.34
Rot. Bonds2

About N-(1,4-dimethylpiperidin-4-yl)-2,3,6-trifluorobenzamide;ethane

N-(1,4-dimethylpiperidin-4-yl)-2,3,6-trifluorobenzamide;ethane (PubChem CID 142327101) has the molecular formula C16H23F3N2O and a molecular weight of 316.37 g/mol. Its IUPAC name is N-(1,4-dimethylpiperidin-4-yl)-2,3,6-trifluorobenzamide;ethane.

Molecular Properties

Compound NameN-(1,4-dimethylpiperidin-4-yl)-2,3,6-trifluorobenzamide;ethane
PubChem CID142327101
Molecular FormulaC16H23F3N2O
Molecular Weight316.37 g/mol
Exact Mass316.18
IUPAC NameN-(1,4-dimethylpiperidin-4-yl)-2,3,6-trifluorobenzamide;ethane
SMILESCC.CN1CCC(C)(NC(=O)c2c(F)ccc(F)c2F)CC1
InChIInChI=1S/C14H17F3N2O.C2H6/c1-14(5-7-19(2)8-6-14)18-13(20)11-9(15)3-4-10(16)12(11)17;1-2/h3-4H,5-8H2,1-2H3,(H,18,20);1-2H3
InChIKeyVLXRSQPXOLPLJA-UHFFFAOYSA-N
XLogP3.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(1,4-dimethylpiperidin-4-yl)-3,4-difluorobenzamide
CID 134435231
N-(1,4-dimethylpiperidin-4-yl)-5-fluoro-2-methylbenzamide
CID 134434469
N-(1,4-dimethylpiperidin-4-yl)-2-(trifluoromethyl)benzamide;ethane
CID 142326815
(4-methylpiperazin-1-yl)-(2,3,6-trifluorophenyl)methanone
CID 171368041
N-(1-ethyl-3-methylpyrrolidin-3-yl)-2,6-difluorobenzamide
CID 142327023
N-(1,4-dimethylpiperidin-4-yl)-6-methylpyridine-3-carboxamide
CID 134434500
(1,4-dimethylpiperidin-4-yl)urea
CID 90712934
3,4,5-trifluoro-N-(1-methylcyclopropyl)benzamide
CID 115634311
2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-6-fluorobenzamide
CID 61124140
2,6-difluoro-N-(3-methyloxolan-3-yl)-3-nitrobenzamide
CID 107122299
N-(1,4-dimethylpiperidin-4-yl)-6-methoxypyridine-2-carboxamide
CID 134435277
(2,6-difluoro-3-methylphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 82816025

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethylpiperidin-4-yl)-2,3,6-trifluorobenzamide;ethane?
The IUPAC name of N-(1,4-dimethylpiperidin-4-yl)-2,3,6-trifluorobenzamide;ethane (CID 142327101) is N-(1,4-dimethylpiperidin-4-yl)-2,3,6-trifluorobenzamide;ethane.
What is the SMILES notation for N-(1,4-dimethylpiperidin-4-yl)-2,3,6-trifluorobenzamide;ethane?
The canonical SMILES for N-(1,4-dimethylpiperidin-4-yl)-2,3,6-trifluorobenzamide;ethane is CC.CN1CCC(C)(NC(=O)c2c(F)ccc(F)c2F)CC1.
What is the InChIKey of N-(1,4-dimethylpiperidin-4-yl)-2,3,6-trifluorobenzamide;ethane?
The InChIKey is VLXRSQPXOLPLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O.C2H6/c1-14(5-7-19(2)8-6-14)18-13(20)11-9(15)3-4-10(16)12(11)17;1-2/h3-4H,5-8H2,1-2H3,(H,18,20);1-2H3.
What are the key properties of N-(1,4-dimethylpiperidin-4-yl)-2,3,6-trifluorobenzamide;ethane?
N-(1,4-dimethylpiperidin-4-yl)-2,3,6-trifluorobenzamide;ethane has a molecular weight of 316.37 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethylpiperidin-4-yl)-2,3,6-trifluorobenzamide;ethane is sourced from PubChem (CID 142327101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).