3-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide

C15H17F3N2O2 — CID 108555310

IUPAC3-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
SMILESCc1cccc(C(=O)NC2CCN(C(=O)C(F)(F)F)CC2)c1
InChIInChI=1S/C15H17F3N2O2/c1-10-3-2-4-11(9-10)13(21)19-12-5-7-20(8-6-12)14(22)15(16,17)18/h2-4,9,12H,5-8H2,1H3,(H,19,21)
InChIKeyBRRVJAPNXOQGEI-UHFFFAOYSA-N
MW314.31 g/mol
LogP2.28
Rot. Bonds2

About 3-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide

3-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide (PubChem CID 108555310) has the molecular formula C15H17F3N2O2 and a molecular weight of 314.31 g/mol. Its IUPAC name is 3-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
PubChem CID108555310
Molecular FormulaC15H17F3N2O2
Molecular Weight314.31 g/mol
Exact Mass314.12
IUPAC Name3-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
SMILESCc1cccc(C(=O)NC2CCN(C(=O)C(F)(F)F)CC2)c1
InChIInChI=1S/C15H17F3N2O2/c1-10-3-2-4-11(9-10)13(21)19-12-5-7-20(8-6-12)14(22)15(16,17)18/h2-4,9,12H,5-8H2,1H3,(H,19,21)
InChIKeyBRRVJAPNXOQGEI-UHFFFAOYSA-N
XLogP2.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbenzamide
CID 110819857
3-fluoro-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108557444
3-methyl-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide
CID 108555379
3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819611
4-tert-butyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide
CID 108554160
3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 3218769
3-methyl-N-(1-phenylpiperidin-4-yl)benzamide
CID 110735842
2-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108557648
N-cyclooctyl-3-methylbenzamide
CID 966011
3-methyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide
CID 110819733
methyl 4-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-4-oxobutanoate
CID 110819811
3-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 17249825

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide?
The IUPAC name of 3-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide (CID 108555310) is 3-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide?
The canonical SMILES for 3-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide is Cc1cccc(C(=O)NC2CCN(C(=O)C(F)(F)F)CC2)c1.
What is the InChIKey of 3-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide?
The InChIKey is BRRVJAPNXOQGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O2/c1-10-3-2-4-11(9-10)13(21)19-12-5-7-20(8-6-12)14(22)15(16,17)18/h2-4,9,12H,5-8H2,1H3,(H,19,21).
What are the key properties of 3-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide?
3-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide has a molecular weight of 314.31 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 108555310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).