1-[4-[2-[3-(trifluoromethyl)phenyl]morpholine-4-carbonyl]piperidin-1-yl]prop-2-en-1-one

C20H23F3N2O3 — CID 166405304

IUPAC1-[4-[2-[3-(trifluoromethyl)phenyl]morpholine-4-carbonyl]piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(C(=O)N2CCOC(c3cccc(C(F)(F)F)c3)C2)CC1
InChIInChI=1S/C20H23F3N2O3/c1-2-18(26)24-8-6-14(7-9-24)19(27)25-10-11-28-17(13-25)15-4-3-5-16(12-15)20(21,22)23/h2-5,12,14,17H,1,6-11,13H2
InChIKeyACMLFDGPRWAERL-UHFFFAOYSA-N
MW396.41 g/mol
LogP3.03
Rot. Bonds3

About 1-[4-[2-[3-(trifluoromethyl)phenyl]morpholine-4-carbonyl]piperidin-1-yl]prop-2-en-1-one

1-[4-[2-[3-(trifluoromethyl)phenyl]morpholine-4-carbonyl]piperidin-1-yl]prop-2-en-1-one (PubChem CID 166405304) has the molecular formula C20H23F3N2O3 and a molecular weight of 396.41 g/mol. Its IUPAC name is 1-[4-[2-[3-(trifluoromethyl)phenyl]morpholine-4-carbonyl]piperidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[4-[2-[3-(trifluoromethyl)phenyl]morpholine-4-carbonyl]piperidin-1-yl]prop-2-en-1-one
PubChem CID166405304
Molecular FormulaC20H23F3N2O3
Molecular Weight396.41 g/mol
Exact Mass396.17
IUPAC Name1-[4-[2-[3-(trifluoromethyl)phenyl]morpholine-4-carbonyl]piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(C(=O)N2CCOC(c3cccc(C(F)(F)F)c3)C2)CC1
InChIInChI=1S/C20H23F3N2O3/c1-2-18(26)24-8-6-14(7-9-24)19(27)25-10-11-28-17(13-25)15-4-3-5-16(12-15)20(21,22)23/h2-5,12,14,17H,1,6-11,13H2
InChIKeyACMLFDGPRWAERL-UHFFFAOYSA-N
XLogP3.03
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[4-[2-[3-(trifluoromethoxy)phenyl]morpholine-4-carbonyl]piperidin-1-yl]prop-2-en-1-one
CID 166405335
1-[4-[2,2-dimethyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]piperidin-1-yl]prop-2-en-1-one
CID 166412697
[(2R,3S)-2-methylmorpholin-3-yl]-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone;hydrochloride
CID 120935931
cyclopropyl-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]methanone
CID 134044230
(2S)-2-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid
CID 124692216
3-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid
CID 124704543
[2-(3-bromophenyl)morpholin-4-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119308183
N-phenyl-4-(2-phenylmorpholine-4-carbonyl)piperidine-1-carboxamide
CID 128925946
N-(1-ethylpiperidin-3-yl)oxy-2-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide
CID 167823753
N-(1H-indol-6-yl)-2-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide
CID 126784188
N-[4-[2-(3,4-difluorophenyl)morpholine-4-carbonyl]cyclohexyl]prop-2-enamide
CID 172888533
4-[3-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 136553556

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[3-(trifluoromethyl)phenyl]morpholine-4-carbonyl]piperidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[4-[2-[3-(trifluoromethyl)phenyl]morpholine-4-carbonyl]piperidin-1-yl]prop-2-en-1-one (CID 166405304) is 1-[4-[2-[3-(trifluoromethyl)phenyl]morpholine-4-carbonyl]piperidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[4-[2-[3-(trifluoromethyl)phenyl]morpholine-4-carbonyl]piperidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[4-[2-[3-(trifluoromethyl)phenyl]morpholine-4-carbonyl]piperidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCC(C(=O)N2CCOC(c3cccc(C(F)(F)F)c3)C2)CC1.
What is the InChIKey of 1-[4-[2-[3-(trifluoromethyl)phenyl]morpholine-4-carbonyl]piperidin-1-yl]prop-2-en-1-one?
The InChIKey is ACMLFDGPRWAERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O3/c1-2-18(26)24-8-6-14(7-9-24)19(27)25-10-11-28-17(13-25)15-4-3-5-16(12-15)20(21,22)23/h2-5,12,14,17H,1,6-11,13H2.
What are the key properties of 1-[4-[2-[3-(trifluoromethyl)phenyl]morpholine-4-carbonyl]piperidin-1-yl]prop-2-en-1-one?
1-[4-[2-[3-(trifluoromethyl)phenyl]morpholine-4-carbonyl]piperidin-1-yl]prop-2-en-1-one has a molecular weight of 396.41 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[3-(trifluoromethyl)phenyl]morpholine-4-carbonyl]piperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 166405304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).