morpholin-4-yl-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanone

C14H19F3N4O3 — CID 163352837

IUPACmorpholin-4-yl-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanone
SMILESO=C(C1CCCN(Cc2nnc(C(F)(F)F)o2)C1)N1CCOCC1
InChIInChI=1S/C14H19F3N4O3/c15-14(16,17)13-19-18-11(24-13)9-20-3-1-2-10(8-20)12(22)21-4-6-23-7-5-21/h10H,1-9H2
InChIKeyCEZHIPHYMSJQER-UHFFFAOYSA-N
MW348.33 g/mol
LogP1.16
Rot. Bonds3

About morpholin-4-yl-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanone

morpholin-4-yl-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanone (PubChem CID 163352837) has the molecular formula C14H19F3N4O3 and a molecular weight of 348.33 g/mol. Its IUPAC name is morpholin-4-yl-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanone
PubChem CID163352837
Molecular FormulaC14H19F3N4O3
Molecular Weight348.33 g/mol
Exact Mass348.14
IUPAC Namemorpholin-4-yl-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanone
SMILESO=C(C1CCCN(Cc2nnc(C(F)(F)F)o2)C1)N1CCOCC1
InChIInChI=1S/C14H19F3N4O3/c15-14(16,17)13-19-18-11(24-13)9-20-3-1-2-10(8-20)12(22)21-4-6-23-7-5-21/h10H,1-9H2
InChIKeyCEZHIPHYMSJQER-UHFFFAOYSA-N
XLogP1.16
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanone?
The IUPAC name of morpholin-4-yl-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanone (CID 163352837) is morpholin-4-yl-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanone?
The canonical SMILES for morpholin-4-yl-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanone is O=C(C1CCCN(Cc2nnc(C(F)(F)F)o2)C1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanone?
The InChIKey is CEZHIPHYMSJQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O3/c15-14(16,17)13-19-18-11(24-13)9-20-3-1-2-10(8-20)12(22)21-4-6-23-7-5-21/h10H,1-9H2.
What are the key properties of morpholin-4-yl-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanone?
morpholin-4-yl-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanone has a molecular weight of 348.33 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 163352837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).