1-[4-[4-(trifluoromethyl)phenyl]benzoyl]piperidine-4-carbonitrile

C20H17F3N2O — CID 118766885

IUPAC1-[4-[4-(trifluoromethyl)phenyl]benzoyl]piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C20H17F3N2O/c21-20(22,23)18-7-5-16(6-8-18)15-1-3-17(4-2-15)19(26)25-11-9-14(13-24)10-12-25/h1-8,14H,9-12H2
InChIKeyDBGKARGOSFMFRJ-UHFFFAOYSA-N
MW358.36 g/mol
LogP4.75
Rot. Bonds2

About 1-[4-[4-(trifluoromethyl)phenyl]benzoyl]piperidine-4-carbonitrile

1-[4-[4-(trifluoromethyl)phenyl]benzoyl]piperidine-4-carbonitrile (PubChem CID 118766885) has the molecular formula C20H17F3N2O and a molecular weight of 358.36 g/mol. Its IUPAC name is 1-[4-[4-(trifluoromethyl)phenyl]benzoyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[4-[4-(trifluoromethyl)phenyl]benzoyl]piperidine-4-carbonitrile
PubChem CID118766885
Molecular FormulaC20H17F3N2O
Molecular Weight358.36 g/mol
Exact Mass358.13
IUPAC Name1-[4-[4-(trifluoromethyl)phenyl]benzoyl]piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C20H17F3N2O/c21-20(22,23)18-7-5-16(6-8-18)15-1-3-17(4-2-15)19(26)25-11-9-14(13-24)10-12-25/h1-8,14H,9-12H2
InChIKeyDBGKARGOSFMFRJ-UHFFFAOYSA-N
XLogP4.75
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonitrile
CID 39381919
(4-hydroxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 139087671
1-[4-bromo-3-(trifluoromethyl)benzoyl]piperidine-4-carbonitrile
CID 81449510
(4-methylazepan-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 84581680
azepan-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 55408385
1-[4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzoyl]piperidine-4-carbonitrile
CID 118147891
N-(4-phenylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 46599278
[4-(triazol-2-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 121164835
N-[1-(4-methylbenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558531
4-cyano-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
CID 48955140
1-[4-(trifluoromethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 63007152
[(3R)-3-aminopyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119409702

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(trifluoromethyl)phenyl]benzoyl]piperidine-4-carbonitrile?
The IUPAC name of 1-[4-[4-(trifluoromethyl)phenyl]benzoyl]piperidine-4-carbonitrile (CID 118766885) is 1-[4-[4-(trifluoromethyl)phenyl]benzoyl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[4-[4-(trifluoromethyl)phenyl]benzoyl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[4-[4-(trifluoromethyl)phenyl]benzoyl]piperidine-4-carbonitrile is N#CC1CCN(C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1.
What is the InChIKey of 1-[4-[4-(trifluoromethyl)phenyl]benzoyl]piperidine-4-carbonitrile?
The InChIKey is DBGKARGOSFMFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O/c21-20(22,23)18-7-5-16(6-8-18)15-1-3-17(4-2-15)19(26)25-11-9-14(13-24)10-12-25/h1-8,14H,9-12H2.
What are the key properties of 1-[4-[4-(trifluoromethyl)phenyl]benzoyl]piperidine-4-carbonitrile?
1-[4-[4-(trifluoromethyl)phenyl]benzoyl]piperidine-4-carbonitrile has a molecular weight of 358.36 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(trifluoromethyl)phenyl]benzoyl]piperidine-4-carbonitrile is sourced from PubChem (CID 118766885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).