[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

C19H24F3N3O — CID 91835242

IUPAC[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)N1CCN(C2CN3CCC2CC3)CC1
InChIInChI=1S/C19H24F3N3O/c20-19(21,22)16-4-2-1-3-15(16)18(26)25-11-9-24(10-12-25)17-13-23-7-5-14(17)6-8-23/h1-4,14,17H,5-13H2
InChIKeyZWTBFIATHXOWTJ-UHFFFAOYSA-N
MW367.42 g/mol
LogP2.56
Rot. Bonds2

About [4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 91835242) has the molecular formula C19H24F3N3O and a molecular weight of 367.42 g/mol. Its IUPAC name is [4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
PubChem CID91835242
Molecular FormulaC19H24F3N3O
Molecular Weight367.42 g/mol
Exact Mass367.19
IUPAC Name[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)N1CCN(C2CN3CCC2CC3)CC1
InChIInChI=1S/C19H24F3N3O/c20-19(21,22)16-4-2-1-3-15(16)18(26)25-11-9-24(10-12-25)17-13-23-7-5-14(17)6-8-23/h1-4,14,17H,5-13H2
InChIKeyZWTBFIATHXOWTJ-UHFFFAOYSA-N
XLogP2.56
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone with MolForge

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Related Compounds

(4-cyclobutyl-1,4-diazepan-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 131702225
(4-chloropiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 63391010
[4-(2-chlorobenzoyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 32753291
(4-aminopiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 86276608
1-[2-(trifluoromethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 63006620
[(3R)-3-aminopyrrolidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119410283
1-[2-(trifluoromethyl)benzoyl]piperidin-4-one
CID 24701821
[4-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]piperazin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 125178565
[4-[1-(1,3-thiazole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 123497602
[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 108545273
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[2-(trifluoromethyl)phenyl]methanone
CID 66212172
(4-methylazepan-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 84581077

Frequently Asked Questions

What is the IUPAC name of [4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (CID 91835242) is [4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is O=C(c1ccccc1C(F)(F)F)N1CCN(C2CN3CCC2CC3)CC1.
What is the InChIKey of [4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is ZWTBFIATHXOWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O/c20-19(21,22)16-4-2-1-3-15(16)18(26)25-11-9-24(10-12-25)17-13-23-7-5-14(17)6-8-23/h1-4,14,17H,5-13H2.
What are the key properties of [4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 367.42 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 91835242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).