[4-(triazol-1-yl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

C15H15F3N4O — CID 121151178

IUPAC[4-(triazol-1-yl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCC(n2ccnn2)CC1
InChIInChI=1S/C15H15F3N4O/c16-15(17,18)12-3-1-2-11(10-12)14(23)21-7-4-13(5-8-21)22-9-6-19-20-22/h1-3,6,9-10,13H,4-5,7-8H2
InChIKeyIOGRSKPOEVJOST-UHFFFAOYSA-N
MW324.31 g/mol
LogP2.77
Rot. Bonds2

About [4-(triazol-1-yl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

[4-(triazol-1-yl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 121151178) has the molecular formula C15H15F3N4O and a molecular weight of 324.31 g/mol. Its IUPAC name is [4-(triazol-1-yl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(triazol-1-yl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID121151178
Molecular FormulaC15H15F3N4O
Molecular Weight324.31 g/mol
Exact Mass324.12
IUPAC Name[4-(triazol-1-yl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCC(n2ccnn2)CC1
InChIInChI=1S/C15H15F3N4O/c16-15(17,18)12-3-1-2-11(10-12)14(23)21-7-4-13(5-8-21)22-9-6-19-20-22/h1-3,6,9-10,13H,4-5,7-8H2
InChIKeyIOGRSKPOEVJOST-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

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Related Compounds

(3-bromophenyl)-[(3S)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 99877388
2-[4-(triazol-1-yl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 42609562
(4-propan-2-ylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 21025548
[4-(4-methylphenyl)phenyl]-[4-(triazol-1-yl)piperidin-1-yl]methanone
CID 121151194
[4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 30864129
3-fluoro-N-[3-[3-(triazol-1-yl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide
CID 121150864
1-[(3S)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonylpyrrolidin-3-yl]triazole
CID 99987995
[4-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 63595842
[4-(1-chloroethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 106839086
(3R)-3-(triazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 99877427
(3-aminopyrrolidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119483027
1-[3-(trifluoromethyl)benzoyl]piperidin-4-one
CID 3815225

Frequently Asked Questions

What is the IUPAC name of [4-(triazol-1-yl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-(triazol-1-yl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 121151178) is [4-(triazol-1-yl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-(triazol-1-yl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-(triazol-1-yl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1)N1CCC(n2ccnn2)CC1.
What is the InChIKey of [4-(triazol-1-yl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is IOGRSKPOEVJOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O/c16-15(17,18)12-3-1-2-11(10-12)14(23)21-7-4-13(5-8-21)22-9-6-19-20-22/h1-3,6,9-10,13H,4-5,7-8H2.
What are the key properties of [4-(triazol-1-yl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
[4-(triazol-1-yl)piperidin-1-yl]-[3-(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-1-yl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 121151178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).