[4-(triazol-2-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

C15H15F3N4O — CID 121164835

IUPAC[4-(triazol-2-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC(n2nccn2)CC1
InChIInChI=1S/C15H15F3N4O/c16-15(17,18)12-3-1-11(2-4-12)14(23)21-9-5-13(6-10-21)22-19-7-8-20-22/h1-4,7-8,13H,5-6,9-10H2
InChIKeyLRFZSDXGIKXOHM-UHFFFAOYSA-N
MW324.31 g/mol
LogP2.77
Rot. Bonds2

About [4-(triazol-2-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

[4-(triazol-2-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 121164835) has the molecular formula C15H15F3N4O and a molecular weight of 324.31 g/mol. Its IUPAC name is [4-(triazol-2-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(triazol-2-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID121164835
Molecular FormulaC15H15F3N4O
Molecular Weight324.31 g/mol
Exact Mass324.12
IUPAC Name[4-(triazol-2-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC(n2nccn2)CC1
InChIInChI=1S/C15H15F3N4O/c16-15(17,18)12-3-1-11(2-4-12)14(23)21-9-5-13(6-10-21)22-19-7-8-20-22/h1-4,7-8,13H,5-6,9-10H2
InChIKeyLRFZSDXGIKXOHM-UHFFFAOYSA-N
XLogP2.77
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(triazol-2-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone 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

phenyl-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121164762
[4-(4-fluorophenyl)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121164861
(4-tert-butylphenyl)-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 124760499
(4-hydroxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 139087671
(4-fluorophenyl)-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 124759378
(3-fluoro-4-methylphenyl)-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121165031
(4-pyrrolidin-1-ylpiperidin-1-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 56550837
1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonitrile
CID 39381919
(4-cycloheptylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 113074934
(4-methylazepan-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 84581680
azepan-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 55408385
(4-methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone chloride
CID 53350752

Frequently Asked Questions

What is the IUPAC name of [4-(triazol-2-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-(triazol-2-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 121164835) is [4-(triazol-2-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-(triazol-2-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-(triazol-2-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)N1CCC(n2nccn2)CC1.
What is the InChIKey of [4-(triazol-2-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is LRFZSDXGIKXOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O/c16-15(17,18)12-3-1-11(2-4-12)14(23)21-9-5-13(6-10-21)22-19-7-8-20-22/h1-4,7-8,13H,5-6,9-10H2.
What are the key properties of [4-(triazol-2-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
[4-(triazol-2-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 324.31 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(triazol-2-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 121164835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).