N-[1-[4-cyano-2-(trifluoromethyl)phenyl]piperidin-3-yl]-2-methylpropanamide

C17H20F3N3O — CID 133354616

IUPACN-[1-[4-cyano-2-(trifluoromethyl)phenyl]piperidin-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCCN(c2ccc(C#N)cc2C(F)(F)F)C1
InChIInChI=1S/C17H20F3N3O/c1-11(2)16(24)22-13-4-3-7-23(10-13)15-6-5-12(9-21)8-14(15)17(18,19)20/h5-6,8,11,13H,3-4,7,10H2,1-2H3,(H,22,24)
InChIKeyIHPCJVQBQQOQDC-UHFFFAOYSA-N
MW339.36 g/mol
LogP3.32
Rot. Bonds3

About N-[1-[4-cyano-2-(trifluoromethyl)phenyl]piperidin-3-yl]-2-methylpropanamide

N-[1-[4-cyano-2-(trifluoromethyl)phenyl]piperidin-3-yl]-2-methylpropanamide (PubChem CID 133354616) has the molecular formula C17H20F3N3O and a molecular weight of 339.36 g/mol. Its IUPAC name is N-[1-[4-cyano-2-(trifluoromethyl)phenyl]piperidin-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[4-cyano-2-(trifluoromethyl)phenyl]piperidin-3-yl]-2-methylpropanamide
PubChem CID133354616
Molecular FormulaC17H20F3N3O
Molecular Weight339.36 g/mol
Exact Mass339.16
IUPAC NameN-[1-[4-cyano-2-(trifluoromethyl)phenyl]piperidin-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCCN(c2ccc(C#N)cc2C(F)(F)F)C1
InChIInChI=1S/C17H20F3N3O/c1-11(2)16(24)22-13-4-3-7-23(10-13)15-6-5-12(9-21)8-14(15)17(18,19)20/h5-6,8,11,13H,3-4,7,10H2,1-2H3,(H,22,24)
InChIKeyIHPCJVQBQQOQDC-UHFFFAOYSA-N
XLogP3.32
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-cyano-2-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide
CID 71862458
(3R)-1-[4-cyano-2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 96506055
N-[1-(2-cyano-4-sulfamoylphenyl)piperidin-3-yl]-2-methylpropanamide
CID 133354622
4-[3-[(2-cyclopropylpyrimidin-4-yl)amino]piperidin-1-yl]-3-(trifluoromethyl)benzonitrile
CID 172904403
2-methyl-N-[4-(3-methylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]propanamide
CID 143229752
ethyl N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]carbamate
CID 95306784
tert-butyl N-[(3S)-1-[4-amino-2-(trifluoromethyl)phenyl]piperidin-3-yl]carbamate
CID 91506279
N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-2-thiophen-3-ylacetamide
CID 124554345
methyl 2-[4-cyano-2-(trifluoromethyl)phenyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylate
CID 133450125
N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-4-ethoxybutanamide
CID 95239331
N-[(3S)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-1H-pyrrole-2-carboxamide
CID 95239326
3-fluoro-4-[3-(1-hydroxyethyl)piperidin-1-yl]benzonitrile
CID 133397554

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-cyano-2-(trifluoromethyl)phenyl]piperidin-3-yl]-2-methylpropanamide?
The IUPAC name of N-[1-[4-cyano-2-(trifluoromethyl)phenyl]piperidin-3-yl]-2-methylpropanamide (CID 133354616) is N-[1-[4-cyano-2-(trifluoromethyl)phenyl]piperidin-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-[4-cyano-2-(trifluoromethyl)phenyl]piperidin-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-[4-cyano-2-(trifluoromethyl)phenyl]piperidin-3-yl]-2-methylpropanamide is CC(C)C(=O)NC1CCCN(c2ccc(C#N)cc2C(F)(F)F)C1.
What is the InChIKey of N-[1-[4-cyano-2-(trifluoromethyl)phenyl]piperidin-3-yl]-2-methylpropanamide?
The InChIKey is IHPCJVQBQQOQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O/c1-11(2)16(24)22-13-4-3-7-23(10-13)15-6-5-12(9-21)8-14(15)17(18,19)20/h5-6,8,11,13H,3-4,7,10H2,1-2H3,(H,22,24).
What are the key properties of N-[1-[4-cyano-2-(trifluoromethyl)phenyl]piperidin-3-yl]-2-methylpropanamide?
N-[1-[4-cyano-2-(trifluoromethyl)phenyl]piperidin-3-yl]-2-methylpropanamide has a molecular weight of 339.36 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-cyano-2-(trifluoromethyl)phenyl]piperidin-3-yl]-2-methylpropanamide is sourced from PubChem (CID 133354616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).