(2,6-dimethylmorpholin-4-yl)-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone

C18H24F3N3O2 — CID 17447797

IUPAC(2,6-dimethylmorpholin-4-yl)-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone
SMILESCC1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC(C)O1
InChIInChI=1S/C18H24F3N3O2/c1-12-10-24(11-13(2)26-12)17(25)14-5-7-23(8-6-14)16-4-3-15(9-22-16)18(19,20)21/h3-4,9,12-14H,5-8,10-11H2,1-2H3
InChIKeyAIFZTVYJAJXKBI-UHFFFAOYSA-N
MW371.40 g/mol
LogP2.95
Rot. Bonds2

About (2,6-dimethylmorpholin-4-yl)-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone

(2,6-dimethylmorpholin-4-yl)-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone (PubChem CID 17447797) has the molecular formula C18H24F3N3O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone
PubChem CID17447797
Molecular FormulaC18H24F3N3O2
Molecular Weight371.40 g/mol
Exact Mass371.18
IUPAC Name(2,6-dimethylmorpholin-4-yl)-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone
SMILESCC1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC(C)O1
InChIInChI=1S/C18H24F3N3O2/c1-12-10-24(11-13(2)26-12)17(25)14-5-7-23(8-6-14)16-4-3-15(9-22-16)18(19,20)21/h3-4,9,12-14H,5-8,10-11H2,1-2H3
InChIKeyAIFZTVYJAJXKBI-UHFFFAOYSA-N
XLogP2.95
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

morpholin-4-yl-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone
CID 165434630
3,4-dihydro-1H-isoquinolin-2-yl-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone
CID 35811782
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea
CID 55747812
2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
CID 59059706
N-(5-methylhexan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 43031278
N,N-dimethyl-4-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane-1-carbonyl]piperidine-1-carboxamide
CID 55701768
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 97212136
N,N,4-trimethyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]piperazine-2-carboxamide
CID 110086636
phenyl 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 2822230
(2,6-dimethylmorpholin-4-yl)-[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone
CID 46430345
(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
CID 94895243
[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium
CID 28873857

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone (CID 17447797) is (2,6-dimethylmorpholin-4-yl)-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone is CC1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC(C)O1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone?
The InChIKey is AIFZTVYJAJXKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O2/c1-12-10-24(11-13(2)26-12)17(25)14-5-7-23(8-6-14)16-4-3-15(9-22-16)18(19,20)21/h3-4,9,12-14H,5-8,10-11H2,1-2H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone?
(2,6-dimethylmorpholin-4-yl)-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone has a molecular weight of 371.40 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone is sourced from PubChem (CID 17447797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).