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

C15H17F3N2O2 — CID 108557648

IUPAC2-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C15H17F3N2O2/c1-10-4-2-3-5-12(10)13(21)19-11-6-8-20(9-7-11)14(22)15(16,17)18/h2-5,11H,6-9H2,1H3,(H,19,21)
InChIKeyNIWCLMCGDWCINT-UHFFFAOYSA-N
MW314.31 g/mol
LogP2.28
Rot. Bonds2

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

2-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide (PubChem CID 108557648) has the molecular formula C15H17F3N2O2 and a molecular weight of 314.31 g/mol. Its IUPAC name is 2-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
PubChem CID108557648
Molecular FormulaC15H17F3N2O2
Molecular Weight314.31 g/mol
Exact Mass314.12
IUPAC Name2-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C15H17F3N2O2/c1-10-4-2-3-5-12(10)13(21)19-11-6-8-20(9-7-11)14(22)15(16,17)18/h2-5,11H,6-9H2,1H3,(H,19,21)
InChIKeyNIWCLMCGDWCINT-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-cyclopentyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 110822504
N,N-dimethyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 108562715
N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-2-methylbenzamide;hydrochloride
CID 119721489
N-[1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidin-4-yl]-2-methylbenzamide
CID 39511425
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
N-(1-cyclopropylpiperidin-4-yl)-2-methylbenzamide
CID 39974888
2-methyl-N-[1-[2-[4-(trifluoromethyl)phenyl]benzoyl]piperidin-4-yl]benzamide
CID 39511855
3-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108555310
2,3,4-trifluoro-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzamide
CID 108556830
2-[4-[(2-methylbenzoyl)amino]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119180811
2-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 39512672
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 38207852

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide?
The IUPAC name of 2-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide (CID 108557648) is 2-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide?
The canonical SMILES for 2-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide is Cc1ccccc1C(=O)NC1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 2-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide?
The InChIKey is NIWCLMCGDWCINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O2/c1-10-4-2-3-5-12(10)13(21)19-11-6-8-20(9-7-11)14(22)15(16,17)18/h2-5,11H,6-9H2,1H3,(H,19,21).
What are the key properties of 2-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide?
2-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 2-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 108557648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).