1-acetyl-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide

C15H17F3N2O2 — CID 6470827

IUPAC1-acetyl-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C15H17F3N2O2/c1-10(21)20-8-6-11(7-9-20)14(22)19-13-5-3-2-4-12(13)15(16,17)18/h2-5,11H,6-9H2,1H3,(H,19,22)
InChIKeySFEUCHYJNOTDQU-UHFFFAOYSA-N
MW314.31 g/mol
LogP2.90
Rot. Bonds2

About 1-acetyl-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide

1-acetyl-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide (PubChem CID 6470827) has the molecular formula C15H17F3N2O2 and a molecular weight of 314.31 g/mol. Its IUPAC name is 1-acetyl-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
PubChem CID6470827
Molecular FormulaC15H17F3N2O2
Molecular Weight314.31 g/mol
Exact Mass314.12
IUPAC Name1-acetyl-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C15H17F3N2O2/c1-10(21)20-8-6-11(7-9-20)14(22)19-13-5-3-2-4-12(13)15(16,17)18/h2-5,11H,6-9H2,1H3,(H,19,22)
InChIKeySFEUCHYJNOTDQU-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-N-(2-tert-butylphenyl)piperidine-4-carboxamide
CID 110686050
1-(2-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 17152558
4-(3-methylpiperidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 109150093
1-acetyl-N-[2-(hydroxymethyl)phenyl]piperidine-4-carboxamide
CID 60655294
1-acetyl-N-[2-[(dimethylamino)methyl]phenyl]piperidine-4-carboxamide
CID 47029013
1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496
N-(2-tert-butylphenyl)-1-[2-(2-fluorophenyl)acetyl]piperidine-4-carboxamide
CID 113006955
3-[[2-(trifluoromethyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103549795
N-(2-tert-butylphenyl)-1-methylpiperidine-4-carboxamide
CID 110693521
1-acetyl-N-(2-tert-butylphenyl)piperidine-3-carboxamide
CID 110686139
N-(2-ethylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 26208452
(3R)-3-hydroxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 78931972

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide (CID 6470827) is 1-acetyl-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 1-acetyl-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is SFEUCHYJNOTDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O2/c1-10(21)20-8-6-11(7-9-20)14(22)19-13-5-3-2-4-12(13)15(16,17)18/h2-5,11H,6-9H2,1H3,(H,19,22).
What are the key properties of 1-acetyl-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
1-acetyl-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 314.31 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 6470827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).