N-(1,4-dimethylpiperidin-4-yl)-2-(trifluoromethyl)benzamide;ethane

C17H25F3N2O — CID 142326815

IUPACN-(1,4-dimethylpiperidin-4-yl)-2-(trifluoromethyl)benzamide;ethane
SMILESCC.CN1CCC(C)(NC(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C15H19F3N2O.C2H6/c1-14(7-9-20(2)10-8-14)19-13(21)11-5-3-4-6-12(11)15(16,17)18;1-2/h3-6H,7-10H2,1-2H3,(H,19,21);1-2H3
InChIKeyFEFYYNNASDOAKV-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.95
Rot. Bonds2

About N-(1,4-dimethylpiperidin-4-yl)-2-(trifluoromethyl)benzamide;ethane

N-(1,4-dimethylpiperidin-4-yl)-2-(trifluoromethyl)benzamide;ethane (PubChem CID 142326815) has the molecular formula C17H25F3N2O and a molecular weight of 330.39 g/mol. Its IUPAC name is N-(1,4-dimethylpiperidin-4-yl)-2-(trifluoromethyl)benzamide;ethane.

Molecular Properties

Compound NameN-(1,4-dimethylpiperidin-4-yl)-2-(trifluoromethyl)benzamide;ethane
PubChem CID142326815
Molecular FormulaC17H25F3N2O
Molecular Weight330.39 g/mol
Exact Mass330.19
IUPAC NameN-(1,4-dimethylpiperidin-4-yl)-2-(trifluoromethyl)benzamide;ethane
SMILESCC.CN1CCC(C)(NC(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C15H19F3N2O.C2H6/c1-14(7-9-20(2)10-8-14)19-13(21)11-5-3-4-6-12(11)15(16,17)18;1-2/h3-6H,7-10H2,1-2H3,(H,19,21);1-2H3
InChIKeyFEFYYNNASDOAKV-UHFFFAOYSA-N
XLogP3.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,4-dimethylpiperidin-4-yl)-5-fluoro-2-methylbenzamide
CID 134434469
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 17444689
N-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)benzamide;prop-1-ene
CID 142009385
N-methyl-2-(trifluoromethyl)benzamide
CID 4216112
[3-methyl-1-[[1-[[2-(trifluoromethyl)benzoyl]amino]cyclopropanecarbonyl]amino]butyl]boronic acid
CID 76584676
N-(1-adamantyl)-2-(trifluoromethyl)benzamide
CID 3118948
(4-hydroxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 80707552
N-(1,4-dimethylpiperidin-4-yl)-3,4-difluorobenzamide
CID 134435231
2-hydroxy-N-(4-methyloxan-4-yl)benzamide
CID 113324402
[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 95043098
N-[4-(aminomethyl)oxan-4-yl]-2-(trifluoromethyl)benzamide
CID 106297158
N-[4-(chloromethyl)oxan-4-yl]-2-(trifluoromethyl)benzamide
CID 106300646

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethylpiperidin-4-yl)-2-(trifluoromethyl)benzamide;ethane?
The IUPAC name of N-(1,4-dimethylpiperidin-4-yl)-2-(trifluoromethyl)benzamide;ethane (CID 142326815) is N-(1,4-dimethylpiperidin-4-yl)-2-(trifluoromethyl)benzamide;ethane.
What is the SMILES notation for N-(1,4-dimethylpiperidin-4-yl)-2-(trifluoromethyl)benzamide;ethane?
The canonical SMILES for N-(1,4-dimethylpiperidin-4-yl)-2-(trifluoromethyl)benzamide;ethane is CC.CN1CCC(C)(NC(=O)c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of N-(1,4-dimethylpiperidin-4-yl)-2-(trifluoromethyl)benzamide;ethane?
The InChIKey is FEFYYNNASDOAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O.C2H6/c1-14(7-9-20(2)10-8-14)19-13(21)11-5-3-4-6-12(11)15(16,17)18;1-2/h3-6H,7-10H2,1-2H3,(H,19,21);1-2H3.
What are the key properties of N-(1,4-dimethylpiperidin-4-yl)-2-(trifluoromethyl)benzamide;ethane?
N-(1,4-dimethylpiperidin-4-yl)-2-(trifluoromethyl)benzamide;ethane has a molecular weight of 330.39 g/mol, XLogP of 3.95, 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-(trifluoromethyl)benzamide;ethane is sourced from PubChem (CID 142326815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).