morpholin-4-yl-[1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone

C18H21F3N2O3 — CID 55517643

IUPACmorpholin-4-yl-[1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)N1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C18H21F3N2O3/c19-18(20,21)15-6-2-1-5-14(15)17(25)23-7-3-4-13(12-23)16(24)22-8-10-26-11-9-22/h1-2,5-6,13H,3-4,7-12H2
InChIKeyXDHDSDGWMMNPJT-UHFFFAOYSA-N
MW370.37 g/mol
LogP2.42
Rot. Bonds2

About morpholin-4-yl-[1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone

morpholin-4-yl-[1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone (PubChem CID 55517643) has the molecular formula C18H21F3N2O3 and a molecular weight of 370.37 g/mol. Its IUPAC name is morpholin-4-yl-[1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone
PubChem CID55517643
Molecular FormulaC18H21F3N2O3
Molecular Weight370.37 g/mol
Exact Mass370.15
IUPAC Namemorpholin-4-yl-[1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)N1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C18H21F3N2O3/c19-18(20,21)15-6-2-1-5-14(15)17(25)23-7-3-4-13(12-23)16(24)22-8-10-26-11-9-22/h1-2,5-6,13H,3-4,7-12H2
InChIKeyXDHDSDGWMMNPJT-UHFFFAOYSA-N
XLogP2.42
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid
CID 51518671
methyl (3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylate
CID 97355286
1-[2-(trifluoromethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 63006620
[1-(2-chloro-4-fluorobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 51329356
[1-(2,4-dichlorobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 51326639
morpholin-4-yl-[(3S)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 31006642
morpholin-4-yl-[1-(2-propan-2-ylsulfanylpyridine-3-carbonyl)piperidin-3-yl]methanone
CID 47040772
[1-(4-aminobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 119700503
(4-chloropiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 63391010
(4-methylazepan-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 84581077
[1-(2-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 3820047
2-fluoro-N-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 47018605

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone?
The IUPAC name of morpholin-4-yl-[1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone (CID 55517643) is morpholin-4-yl-[1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone?
The canonical SMILES for morpholin-4-yl-[1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone is O=C(c1ccccc1C(F)(F)F)N1CCCC(C(=O)N2CCOCC2)C1.
What is the InChIKey of morpholin-4-yl-[1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone?
The InChIKey is XDHDSDGWMMNPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O3/c19-18(20,21)15-6-2-1-5-14(15)17(25)23-7-3-4-13(12-23)16(24)22-8-10-26-11-9-22/h1-2,5-6,13H,3-4,7-12H2.
What are the key properties of morpholin-4-yl-[1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone?
morpholin-4-yl-[1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone has a molecular weight of 370.37 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone is sourced from PubChem (CID 55517643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).