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

C16H18F3N3O — CID 48955140

IUPAC4-cyano-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
SMILESN#CC1CCN(C(=O)NCCc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H18F3N3O/c17-16(18,19)14-3-1-12(2-4-14)5-8-21-15(23)22-9-6-13(11-20)7-10-22/h1-4,13H,5-10H2,(H,21,23)
InChIKeyKRJNSTLCFJPMBL-UHFFFAOYSA-N
MW325.33 g/mol
LogP3.19
Rot. Bonds3

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

4-cyano-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide (PubChem CID 48955140) has the molecular formula C16H18F3N3O and a molecular weight of 325.33 g/mol. Its IUPAC name is 4-cyano-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
PubChem CID48955140
Molecular FormulaC16H18F3N3O
Molecular Weight325.33 g/mol
Exact Mass325.14
IUPAC Name4-cyano-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
SMILESN#CC1CCN(C(=O)NCCc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H18F3N3O/c17-16(18,19)14-3-1-12(2-4-14)5-8-21-15(23)22-9-6-13(11-20)7-10-22/h1-4,13H,5-10H2,(H,21,23)
InChIKeyKRJNSTLCFJPMBL-UHFFFAOYSA-N
XLogP3.19
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 4-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoyl]piperazine-1-carboxylate
CID 30264016
4-cyano-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide
CID 48957771
4-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxamide
CID 27537143
3-cyano-N-[2-(4-cyclohexylphenyl)ethyl]pyrrolidine-1-carboxamide
CID 136552584
1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonitrile
CID 39381919
4-cyano-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 115598305
1-[4-[4-(trifluoromethyl)phenyl]benzoyl]piperidine-4-carbonitrile
CID 118766885
N-[2-(4-chlorophenyl)-2-methylpropyl]-4-cyanopiperidine-1-carboxamide
CID 48957326
4-(3-methyl-1,2-oxazole-5-carbonyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxamide
CID 86869124
N-[2-(4-tert-butylphenyl)ethyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443632
1-(4-hydroxypiperidin-1-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 111108326
1-oxo-7-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydroisoquinoline-2-carboxamide
CID 122371222

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-cyano-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide (CID 48955140) is 4-cyano-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-cyano-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-cyano-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide is N#CC1CCN(C(=O)NCCc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 4-cyano-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide?
The InChIKey is KRJNSTLCFJPMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O/c17-16(18,19)14-3-1-12(2-4-14)5-8-21-15(23)22-9-6-13(11-20)7-10-22/h1-4,13H,5-10H2,(H,21,23).
What are the key properties of 4-cyano-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide?
4-cyano-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide has a molecular weight of 325.33 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 48955140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).