2H-chromen-3-yl-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone

C22H19F3N2O3 — CID 55746812

IUPAC2H-chromen-3-yl-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone
SMILESO=C(C1=Cc2ccccc2OC1)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H19F3N2O3/c23-22(24,25)18-6-3-5-16(13-18)20(28)26-8-10-27(11-9-26)21(29)17-12-15-4-1-2-7-19(15)30-14-17/h1-7,12-13H,8-11,14H2
InChIKeyXZVPGYFUMVJKCZ-UHFFFAOYSA-N
MW416.40 g/mol
LogP3.47
Rot. Bonds2

About 2H-chromen-3-yl-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone

2H-chromen-3-yl-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone (PubChem CID 55746812) has the molecular formula C22H19F3N2O3 and a molecular weight of 416.40 g/mol. Its IUPAC name is 2H-chromen-3-yl-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name2H-chromen-3-yl-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone
PubChem CID55746812
Molecular FormulaC22H19F3N2O3
Molecular Weight416.40 g/mol
Exact Mass416.13
IUPAC Name2H-chromen-3-yl-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone
SMILESO=C(C1=Cc2ccccc2OC1)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H19F3N2O3/c23-22(24,25)18-6-3-5-16(13-18)20(28)26-8-10-27(11-9-26)21(29)17-12-15-4-1-2-7-19(15)30-14-17/h1-7,12-13H,8-11,14H2
InChIKeyXZVPGYFUMVJKCZ-UHFFFAOYSA-N
XLogP3.47
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.40
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2H-chromen-3-yl-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 39968046
(4-aminophenyl)-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone;hydrochloride
CID 119720545
(4-aminopiperidin-1-yl)-(2H-chromen-3-yl)methanone;hydrochloride
CID 119373372
1-[3-(trifluoromethyl)benzoyl]piperidin-4-one
CID 3815225
1-(2H-chromene-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251080
1'-[3-(trifluoromethyl)benzoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260579
2H-chromen-3-yl-(4-propylsulfonylpiperazin-1-yl)methanone
CID 75538257
2-[4-(2H-chromene-3-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 26816176
(4-pyridin-4-ylpiperazin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 9048304
[(2S)-oxolan-2-yl]-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone
CID 7346665
1,3-benzodioxol-5-yl-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 26870263
(4-propan-2-ylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 21025548

Frequently Asked Questions

What is the IUPAC name of 2H-chromen-3-yl-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone?
The IUPAC name of 2H-chromen-3-yl-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone (CID 55746812) is 2H-chromen-3-yl-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone.
What is the SMILES notation for 2H-chromen-3-yl-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone?
The canonical SMILES for 2H-chromen-3-yl-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone is O=C(C1=Cc2ccccc2OC1)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2H-chromen-3-yl-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone?
The InChIKey is XZVPGYFUMVJKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O3/c23-22(24,25)18-6-3-5-16(13-18)20(28)26-8-10-27(11-9-26)21(29)17-12-15-4-1-2-7-19(15)30-14-17/h1-7,12-13H,8-11,14H2.
What are the key properties of 2H-chromen-3-yl-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone?
2H-chromen-3-yl-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone has a molecular weight of 416.40 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-chromen-3-yl-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone is sourced from PubChem (CID 55746812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).