N-(3,4-dicyanophenyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C16H15F3N4O — CID 75497020

IUPACN-(3,4-dicyanophenyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CCCN(CC(F)(F)F)C2)cc1C#N
InChIInChI=1S/C16H15F3N4O/c17-16(18,19)10-23-5-1-2-12(9-23)15(24)22-14-4-3-11(7-20)13(6-14)8-21/h3-4,6,12H,1-2,5,9-10H2,(H,22,24)
InChIKeySTPLPBJYMGQZTD-UHFFFAOYSA-N
MW336.32 g/mol
LogP2.64
Rot. Bonds3

About N-(3,4-dicyanophenyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

N-(3,4-dicyanophenyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 75497020) has the molecular formula C16H15F3N4O and a molecular weight of 336.32 g/mol. Its IUPAC name is N-(3,4-dicyanophenyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dicyanophenyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID75497020
Molecular FormulaC16H15F3N4O
Molecular Weight336.32 g/mol
Exact Mass336.12
IUPAC NameN-(3,4-dicyanophenyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CCCN(CC(F)(F)F)C2)cc1C#N
InChIInChI=1S/C16H15F3N4O/c17-16(18,19)10-23-5-1-2-12(9-23)15(24)22-14-4-3-11(7-20)13(6-14)8-21/h3-4,6,12H,1-2,5,9-10H2,(H,22,24)
InChIKeySTPLPBJYMGQZTD-UHFFFAOYSA-N
XLogP2.64
TPSA79.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(3-fluoro-4-nitrophenyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97149101
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 75405098
(3R)-N-(1H-indazol-6-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 124627006
N-(3-cyano-4-fluorophenyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 126839287
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55962270
3-amino-N-(3,4-dicyanophenyl)cyclohexane-1-carboxamide
CID 107790584
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015275
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 46487299
(3S)-N-(3-carbamoyl-5-methylthiophen-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97146313
(3R)-N-(3-carbamoyl-5-methylthiophen-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97146312
N-(6-cyclopropyl-2-methylpyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 127722832
(2R)-2-phenyl-2-[[1-(2,2,2-trifluoroethyl)piperidine-3-carbonyl]amino]acetic acid
CID 119367956

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dicyanophenyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of N-(3,4-dicyanophenyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 75497020) is N-(3,4-dicyanophenyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3,4-dicyanophenyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for N-(3,4-dicyanophenyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is N#Cc1ccc(NC(=O)C2CCCN(CC(F)(F)F)C2)cc1C#N.
What is the InChIKey of N-(3,4-dicyanophenyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is STPLPBJYMGQZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O/c17-16(18,19)10-23-5-1-2-12(9-23)15(24)22-14-4-3-11(7-20)13(6-14)8-21/h3-4,6,12H,1-2,5,9-10H2,(H,22,24).
What are the key properties of N-(3,4-dicyanophenyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
N-(3,4-dicyanophenyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 336.32 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dicyanophenyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 75497020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).