1-[2-[2-(trifluoromethyl)phenyl]acetyl]piperidine-3-carbonitrile

C15H15F3N2O — CID 91781505

IUPAC1-[2-[2-(trifluoromethyl)phenyl]acetyl]piperidine-3-carbonitrile
SMILESN#CC1CCCN(C(=O)Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C15H15F3N2O/c16-15(17,18)13-6-2-1-5-12(13)8-14(21)20-7-3-4-11(9-19)10-20/h1-2,5-6,11H,3-4,7-8,10H2
InChIKeyQFANZWRAOQEZEZ-UHFFFAOYSA-N
MW296.29 g/mol
LogP3.01
Rot. Bonds2

About 1-[2-[2-(trifluoromethyl)phenyl]acetyl]piperidine-3-carbonitrile

1-[2-[2-(trifluoromethyl)phenyl]acetyl]piperidine-3-carbonitrile (PubChem CID 91781505) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is 1-[2-[2-(trifluoromethyl)phenyl]acetyl]piperidine-3-carbonitrile.

Molecular Properties

Compound Name1-[2-[2-(trifluoromethyl)phenyl]acetyl]piperidine-3-carbonitrile
PubChem CID91781505
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC Name1-[2-[2-(trifluoromethyl)phenyl]acetyl]piperidine-3-carbonitrile
SMILESN#CC1CCCN(C(=O)Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C15H15F3N2O/c16-15(17,18)13-6-2-1-5-12(13)8-14(21)20-7-3-4-11(9-19)10-20/h1-2,5-6,11H,3-4,7-8,10H2
InChIKeyQFANZWRAOQEZEZ-UHFFFAOYSA-N
XLogP3.01
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(1-aminoethyl)piperidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 91645395
1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 95317069
1-(4-methoxyazepan-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
CID 136522526
1-(3-pyrimidin-4-ylpiperidin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
CID 90649172
1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 124612859
2-hydroxy-1-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone
CID 56866872
1-[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propan-1-one
CID 95136879
(2R)-1-[2-[2-(trifluoromethyl)phenyl]acetyl]pyrrolidine-2-carboxamide
CID 124606525
(3S)-1-[2-(4-phenylpiperidin-1-yl)acetyl]piperidine-3-carbonitrile
CID 97191607
1-[2-(4-ethoxyphenyl)acetyl]piperidine-3-carbonitrile
CID 91774861
1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
CID 91766622
1-(3-methylpiperidin-1-yl)-2-[2-(trifluoromethyl)anilino]ethanone
CID 109006548

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(trifluoromethyl)phenyl]acetyl]piperidine-3-carbonitrile?
The IUPAC name of 1-[2-[2-(trifluoromethyl)phenyl]acetyl]piperidine-3-carbonitrile (CID 91781505) is 1-[2-[2-(trifluoromethyl)phenyl]acetyl]piperidine-3-carbonitrile.
What is the SMILES notation for 1-[2-[2-(trifluoromethyl)phenyl]acetyl]piperidine-3-carbonitrile?
The canonical SMILES for 1-[2-[2-(trifluoromethyl)phenyl]acetyl]piperidine-3-carbonitrile is N#CC1CCCN(C(=O)Cc2ccccc2C(F)(F)F)C1.
What is the InChIKey of 1-[2-[2-(trifluoromethyl)phenyl]acetyl]piperidine-3-carbonitrile?
The InChIKey is QFANZWRAOQEZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c16-15(17,18)13-6-2-1-5-12(13)8-14(21)20-7-3-4-11(9-19)10-20/h1-2,5-6,11H,3-4,7-8,10H2.
What are the key properties of 1-[2-[2-(trifluoromethyl)phenyl]acetyl]piperidine-3-carbonitrile?
1-[2-[2-(trifluoromethyl)phenyl]acetyl]piperidine-3-carbonitrile has a molecular weight of 296.29 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(trifluoromethyl)phenyl]acetyl]piperidine-3-carbonitrile is sourced from PubChem (CID 91781505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).