4-[(2-phenylimidazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C23H23F3N4O — CID 90494539

IUPAC4-[(2-phenylimidazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)N1CCC(Cn2ccnc2-c2ccccc2)CC1
InChIInChI=1S/C23H23F3N4O/c24-23(25,26)19-8-4-5-9-20(19)28-22(31)29-13-10-17(11-14-29)16-30-15-12-27-21(30)18-6-2-1-3-7-18/h1-9,12,15,17H,10-11,13-14,16H2,(H,28,31)
InChIKeyINTWNJAYFZMINH-UHFFFAOYSA-N
MW428.46 g/mol
LogP5.51
Rot. Bonds4

About 4-[(2-phenylimidazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide

4-[(2-phenylimidazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 90494539) has the molecular formula C23H23F3N4O and a molecular weight of 428.46 g/mol. Its IUPAC name is 4-[(2-phenylimidazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(2-phenylimidazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID90494539
Molecular FormulaC23H23F3N4O
Molecular Weight428.46 g/mol
Exact Mass428.18
IUPAC Name4-[(2-phenylimidazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)N1CCC(Cn2ccnc2-c2ccccc2)CC1
InChIInChI=1S/C23H23F3N4O/c24-23(25,26)19-8-4-5-9-20(19)28-22(31)29-13-10-17(11-14-29)16-30-15-12-27-21(30)18-6-2-1-3-7-18/h1-9,12,15,17H,10-11,13-14,16H2,(H,28,31)
InChIKeyINTWNJAYFZMINH-UHFFFAOYSA-N
XLogP5.51
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.46
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(2-phenylimidazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide 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

4-[(2-phenylimidazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 90494538
N-[(4-fluorophenyl)methyl]-4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494541
4-benzyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 3857364
1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 90492944
N-[2-oxo-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]benzamide
CID 90492929
(3R)-3-(1-ethylimidazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 97120414
(3R)-3-hydroxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 78931972
4-(triazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 121165130
4-pyrimidin-2-yloxy-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 90558855
1-adamantyl-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493512
N-methyl-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494467
1-(azepan-1-yl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90494396

Frequently Asked Questions

What is the IUPAC name of 4-[(2-phenylimidazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-[(2-phenylimidazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 90494539) is 4-[(2-phenylimidazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[(2-phenylimidazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[(2-phenylimidazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide is O=C(Nc1ccccc1C(F)(F)F)N1CCC(Cn2ccnc2-c2ccccc2)CC1.
What is the InChIKey of 4-[(2-phenylimidazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is INTWNJAYFZMINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O/c24-23(25,26)19-8-4-5-9-20(19)28-22(31)29-13-10-17(11-14-29)16-30-15-12-27-21(30)18-6-2-1-3-7-18/h1-9,12,15,17H,10-11,13-14,16H2,(H,28,31).
What are the key properties of 4-[(2-phenylimidazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
4-[(2-phenylimidazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 428.46 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-phenylimidazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 90494539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).