1-(2,6-dimethylmorpholin-4-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone

C16H23F3N4O3 — CID 90542143

IUPAC1-(2,6-dimethylmorpholin-4-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
SMILESCC1CN(C(=O)CN2CCC(c3nnc(C(F)(F)F)o3)CC2)CC(C)O1
InChIInChI=1S/C16H23F3N4O3/c1-10-7-23(8-11(2)25-10)13(24)9-22-5-3-12(4-6-22)14-20-21-15(26-14)16(17,18)19/h10-12H,3-9H2,1-2H3
InChIKeyZOODEYZNFQINGH-UHFFFAOYSA-N
MW376.38 g/mol
LogP1.90
Rot. Bonds3

About 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone

1-(2,6-dimethylmorpholin-4-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 90542143) has the molecular formula C16H23F3N4O3 and a molecular weight of 376.38 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
PubChem CID90542143
Molecular FormulaC16H23F3N4O3
Molecular Weight376.38 g/mol
Exact Mass376.17
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
SMILESCC1CN(C(=O)CN2CCC(c3nnc(C(F)(F)F)o3)CC2)CC(C)O1
InChIInChI=1S/C16H23F3N4O3/c1-10-7-23(8-11(2)25-10)13(24)9-22-5-3-12(4-6-22)14-20-21-15(26-14)16(17,18)19/h10-12H,3-9H2,1-2H3
InChIKeyZOODEYZNFQINGH-UHFFFAOYSA-N
XLogP1.90
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-Morpholino-2-(4-(5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)ethanone
CID 71793507
Ethyl 4-(2-(4-(5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)acetyl)piperazine-1-carboxylate
CID 71793508
2-(1-(2-Ethoxyethyl)piperidin-4-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 90542129
2-(1-(2-Methoxyethyl)piperidin-4-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 90542134
N,N-diethyl-2-(4-(5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)acetamide
CID 90542137
N,N-diisopropyl-2-(4-(5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)acetamide
CID 90542141
N-(2-methoxyethyl)-2-(4-(5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)acetamide
CID 90542142
1-(4-Methylpiperidin-1-yl)-2-(4-(5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)ethanone
CID 90542188
1-(4-Methylpiperidin-1-yl)-2-(4-(5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)propan-1-one
CID 90542191
2,2,2-Trifluoro-1-[4-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 110395603
2,2,2-Trifluoro-1-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 110423709
2,2,2-Trifluoro-1-[1-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]piperidin-4-yl]ethanol
CID 112326747

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone (CID 90542143) is 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone is CC1CN(C(=O)CN2CCC(c3nnc(C(F)(F)F)o3)CC2)CC(C)O1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone?
The InChIKey is ZOODEYZNFQINGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O3/c1-10-7-23(8-11(2)25-10)13(24)9-22-5-3-12(4-6-22)14-20-21-15(26-14)16(17,18)19/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone?
1-(2,6-dimethylmorpholin-4-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 376.38 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 90542143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).