morpholin-3-yl-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

C14H24F3N3O3 — CID 119752083

IUPACmorpholin-3-yl-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone
SMILESO=C(C1COCCN1)N1CCN(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C14H24F3N3O3/c15-14(16,17)11-23-8-1-3-19-4-6-20(7-5-19)13(21)12-10-22-9-2-18-12/h12,18H,1-11H2
InChIKeyNBVPIBGFRGMHND-UHFFFAOYSA-N
MW339.36 g/mol
LogP0.09
Rot. Bonds6

About morpholin-3-yl-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

morpholin-3-yl-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone (PubChem CID 119752083) has the molecular formula C14H24F3N3O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is morpholin-3-yl-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namemorpholin-3-yl-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone
PubChem CID119752083
Molecular FormulaC14H24F3N3O3
Molecular Weight339.36 g/mol
Exact Mass339.18
IUPAC Namemorpholin-3-yl-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone
SMILESO=C(C1COCCN1)N1CCN(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C14H24F3N3O3/c15-14(16,17)11-23-8-1-3-19-4-6-20(7-5-19)13(21)12-10-22-9-2-18-12/h12,18H,1-11H2
InChIKeyNBVPIBGFRGMHND-UHFFFAOYSA-N
XLogP0.09
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of morpholin-3-yl-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone?
The IUPAC name of morpholin-3-yl-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone (CID 119752083) is morpholin-3-yl-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone.
What is the SMILES notation for morpholin-3-yl-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone?
The canonical SMILES for morpholin-3-yl-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone is O=C(C1COCCN1)N1CCN(CCCOCC(F)(F)F)CC1.
What is the InChIKey of morpholin-3-yl-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone?
The InChIKey is NBVPIBGFRGMHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O3/c15-14(16,17)11-23-8-1-3-19-4-6-20(7-5-19)13(21)12-10-22-9-2-18-12/h12,18H,1-11H2.
What are the key properties of morpholin-3-yl-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone?
morpholin-3-yl-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone has a molecular weight of 339.36 g/mol, XLogP of 0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-3-yl-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone is sourced from PubChem (CID 119752083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).