(2,5-dimethylmorpholin-4-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone

C20H25F3N2O3 — CID 55586702

IUPAC(2,5-dimethylmorpholin-4-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
SMILESCC1CN(C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C(C)CO1
InChIInChI=1S/C20H25F3N2O3/c1-13-12-28-14(2)11-25(13)19(27)16-7-9-24(10-8-16)18(26)15-3-5-17(6-4-15)20(21,22)23/h3-6,13-14,16H,7-12H2,1-2H3
InChIKeyXEUWFTQZAZMZCB-UHFFFAOYSA-N
MW398.43 g/mol
LogP3.19
Rot. Bonds2

About (2,5-dimethylmorpholin-4-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone

(2,5-dimethylmorpholin-4-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone (PubChem CID 55586702) has the molecular formula C20H25F3N2O3 and a molecular weight of 398.43 g/mol. Its IUPAC name is (2,5-dimethylmorpholin-4-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylmorpholin-4-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
PubChem CID55586702
Molecular FormulaC20H25F3N2O3
Molecular Weight398.43 g/mol
Exact Mass398.18
IUPAC Name(2,5-dimethylmorpholin-4-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
SMILESCC1CN(C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C(C)CO1
InChIInChI=1S/C20H25F3N2O3/c1-13-12-28-14(2)11-25(13)19(27)16-7-9-24(10-8-16)18(26)15-3-5-17(6-4-15)20(21,22)23/h3-6,13-14,16H,7-12H2,1-2H3
InChIKeyXEUWFTQZAZMZCB-UHFFFAOYSA-N
XLogP3.19
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2,5-dimethylmorpholin-4-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]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

azepan-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 55408385
morpholin-4-yl-[1-[1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonyl]piperidin-4-yl]methanone
CID 32651661
[(2S)-2-methylmorpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 51710382
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 136580694
1-[4-(trifluoromethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 63007152
(4-pyrrolidin-1-ylpiperidin-1-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 56550837
[3-(methylamino)piperidin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone;hydrochloride
CID 119491917
(4-hydroxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 139087671
(4-methylazepan-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 84581680
cyclobutyl-(2,5-dimethylmorpholin-4-yl)methanone
CID 110727653
(4-cyclopentylpiperazin-1-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 55584059
cyclopentyl-[4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]methanone
CID 110797847

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylmorpholin-4-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone?
The IUPAC name of (2,5-dimethylmorpholin-4-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone (CID 55586702) is (2,5-dimethylmorpholin-4-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone.
What is the SMILES notation for (2,5-dimethylmorpholin-4-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone?
The canonical SMILES for (2,5-dimethylmorpholin-4-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone is CC1CN(C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C(C)CO1.
What is the InChIKey of (2,5-dimethylmorpholin-4-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone?
The InChIKey is XEUWFTQZAZMZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N2O3/c1-13-12-28-14(2)11-25(13)19(27)16-7-9-24(10-8-16)18(26)15-3-5-17(6-4-15)20(21,22)23/h3-6,13-14,16H,7-12H2,1-2H3.
What are the key properties of (2,5-dimethylmorpholin-4-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone?
(2,5-dimethylmorpholin-4-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone has a molecular weight of 398.43 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylmorpholin-4-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone is sourced from PubChem (CID 55586702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).