[4-(triazol-1-yl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone

C15H22F3N5O — CID 84595139

IUPAC[4-(triazol-1-yl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone
SMILESO=C(C1CCCN(CC(F)(F)F)C1)N1CCC(n2ccnn2)CC1
InChIInChI=1S/C15H22F3N5O/c16-15(17,18)11-21-6-1-2-12(10-21)14(24)22-7-3-13(4-8-22)23-9-5-19-20-23/h5,9,12-13H,1-4,6-8,10-11H2
InChIKeyHCSMPSWEXCJZGN-UHFFFAOYSA-N
MW345.37 g/mol
LogP1.72
Rot. Bonds3

About [4-(triazol-1-yl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone

[4-(triazol-1-yl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone (PubChem CID 84595139) has the molecular formula C15H22F3N5O and a molecular weight of 345.37 g/mol. Its IUPAC name is [4-(triazol-1-yl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(triazol-1-yl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone
PubChem CID84595139
Molecular FormulaC15H22F3N5O
Molecular Weight345.37 g/mol
Exact Mass345.18
IUPAC Name[4-(triazol-1-yl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone
SMILESO=C(C1CCCN(CC(F)(F)F)C1)N1CCC(n2ccnn2)CC1
InChIInChI=1S/C15H22F3N5O/c16-15(17,18)11-21-6-1-2-12(10-21)14(24)22-7-3-13(4-8-22)23-9-5-19-20-23/h5,9,12-13H,1-4,6-8,10-11H2
InChIKeyHCSMPSWEXCJZGN-UHFFFAOYSA-N
XLogP1.72
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-hydroxyethyl)piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone
CID 110903689
1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 42950662
(1-pyrimidin-2-ylpiperidin-3-yl)-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone
CID 55850146
cyclobutyl-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone
CID 78870570
1-[1-[1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]cyclobutane-1-carboxylic acid
CID 155957111
(E)-4-(dimethylamino)-1-[4-(triazol-1-yl)azepan-1-yl]but-2-en-1-one
CID 166407447
(3R)-3-(triazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 99877427
tert-butyl 3-(triazol-1-yl)pyrrolidine-1-carboxylate
CID 19005932
[4-(triazol-1-yl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 121151178
2-(2-chloro-6-fluorophenyl)-1-[(3R)-3-(triazol-1-yl)pyrrolidin-1-yl]ethanone
CID 99877381
cyclopentyl-[2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 121185694
(3S)-1-[1-(2,2,2-trifluoroethyl)piperidine-4-carbonyl]pyrrolidine-3-carboxamide
CID 94512781

Frequently Asked Questions

What is the IUPAC name of [4-(triazol-1-yl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone?
The IUPAC name of [4-(triazol-1-yl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone (CID 84595139) is [4-(triazol-1-yl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone.
What is the SMILES notation for [4-(triazol-1-yl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone?
The canonical SMILES for [4-(triazol-1-yl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone is O=C(C1CCCN(CC(F)(F)F)C1)N1CCC(n2ccnn2)CC1.
What is the InChIKey of [4-(triazol-1-yl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone?
The InChIKey is HCSMPSWEXCJZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N5O/c16-15(17,18)11-21-6-1-2-12(10-21)14(24)22-7-3-13(4-8-22)23-9-5-19-20-23/h5,9,12-13H,1-4,6-8,10-11H2.
What are the key properties of [4-(triazol-1-yl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone?
[4-(triazol-1-yl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone has a molecular weight of 345.37 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(triazol-1-yl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone is sourced from PubChem (CID 84595139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).