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

C15H16F3N3O — CID 71862458

IUPACN-[1-[4-cyano-2-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(c2ccc(C#N)cc2C(F)(F)F)C1
InChIInChI=1S/C15H16F3N3O/c1-10(22)20-12-3-2-6-21(9-12)14-5-4-11(8-19)7-13(14)15(16,17)18/h4-5,7,12H,2-3,6,9H2,1H3,(H,20,22)
InChIKeyTWPHDENVVWUTMQ-UHFFFAOYSA-N
MW311.31 g/mol
LogP2.68
Rot. Bonds2

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

N-[1-[4-cyano-2-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide (PubChem CID 71862458) has the molecular formula C15H16F3N3O and a molecular weight of 311.31 g/mol. Its IUPAC name is N-[1-[4-cyano-2-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-cyano-2-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide
PubChem CID71862458
Molecular FormulaC15H16F3N3O
Molecular Weight311.31 g/mol
Exact Mass311.12
IUPAC NameN-[1-[4-cyano-2-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(c2ccc(C#N)cc2C(F)(F)F)C1
InChIInChI=1S/C15H16F3N3O/c1-10(22)20-12-3-2-6-21(9-12)14-5-4-11(8-19)7-13(14)15(16,17)18/h4-5,7,12H,2-3,6,9H2,1H3,(H,20,22)
InChIKeyTWPHDENVVWUTMQ-UHFFFAOYSA-N
XLogP2.68
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[4-cyano-2-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[4-cyano-2-(trifluoromethyl)phenyl]piperidin-3-yl]-2-methylpropanamide
CID 133354616
(3R)-1-[4-cyano-2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 96506055
4-[3-[(2-cyclopropylpyrimidin-4-yl)amino]piperidin-1-yl]-3-(trifluoromethyl)benzonitrile
CID 172904403
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-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide
CID 171326608
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
N-[1-(4-chloro-2-cyanophenyl)pyrrolidin-3-yl]acetamide
CID 113402290
N-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]methanesulfonamide
CID 133296952
N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-2-thiophen-3-ylacetamide
CID 124554345

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-cyano-2-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[1-[4-cyano-2-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide (CID 71862458) is N-[1-[4-cyano-2-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[4-cyano-2-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[4-cyano-2-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide is CC(=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]acetamide?
The InChIKey is TWPHDENVVWUTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O/c1-10(22)20-12-3-2-6-21(9-12)14-5-4-11(8-19)7-13(14)15(16,17)18/h4-5,7,12H,2-3,6,9H2,1H3,(H,20,22).
What are the key properties of N-[1-[4-cyano-2-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide?
N-[1-[4-cyano-2-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide has a molecular weight of 311.31 g/mol, XLogP of 2.68, 2 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]acetamide is sourced from PubChem (CID 71862458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).