morpholin-3-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

C11H15F3N2O2 — CID 114489846

IUPACmorpholin-3-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESO=C(C1COCCN1)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C11H15F3N2O2/c12-11(13,14)8-1-4-16(5-2-8)10(17)9-7-18-6-3-15-9/h1,9,15H,2-7H2
InChIKeyMAYBDZIVHLJSRZ-UHFFFAOYSA-N
MW264.25 g/mol
LogP0.70
Rot. Bonds1

About morpholin-3-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

morpholin-3-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 114489846) has the molecular formula C11H15F3N2O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is morpholin-3-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Namemorpholin-3-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID114489846
Molecular FormulaC11H15F3N2O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC Namemorpholin-3-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESO=C(C1COCCN1)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C11H15F3N2O2/c12-11(13,14)8-1-4-16(5-2-8)10(17)9-7-18-6-3-15-9/h1,9,15H,2-7H2
InChIKeyMAYBDZIVHLJSRZ-UHFFFAOYSA-N
XLogP0.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-methoxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 114489761
2-morpholin-2-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 114489867
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 121543793
(3R)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 124918094
(3S)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 124918095
1-[3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]morpholin-4-yl]ethanone
CID 137843298
(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-morpholin-3-ylmethanone
CID 166234999
(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-morpholin-3-ylmethanone
CID 106313855
[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-morpholin-3-ylmethanone
CID 113581444
3,6-dihydro-2H-pyridin-1-yl(morpholin-3-yl)methanone
CID 114408946
(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-morpholin-3-ylmethanone
CID 114409350
(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-morpholin-3-ylmethanone
CID 114459956

Frequently Asked Questions

What is the IUPAC name of morpholin-3-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of morpholin-3-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 114489846) is morpholin-3-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for morpholin-3-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for morpholin-3-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is O=C(C1COCCN1)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of morpholin-3-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is MAYBDZIVHLJSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2/c12-11(13,14)8-1-4-16(5-2-8)10(17)9-7-18-6-3-15-9/h1,9,15H,2-7H2.
What are the key properties of morpholin-3-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
morpholin-3-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 264.25 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-3-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 114489846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).