4-(3-amino-5,5,5-trifluoropentanoyl)-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one

C14H24F3N3O3 — CID 66660891

IUPAC4-(3-amino-5,5,5-trifluoropentanoyl)-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one
SMILESCC(C)(C)OCC1C(=O)NCCN1C(=O)CC(N)CC(F)(F)F
InChIInChI=1S/C14H24F3N3O3/c1-13(2,3)23-8-10-12(22)19-4-5-20(10)11(21)6-9(18)7-14(15,16)17/h9-10H,4-8,18H2,1-3H3,(H,19,22)
InChIKeyLFHMFVIFKIIQJS-UHFFFAOYSA-N
MW339.36 g/mol
LogP0.80
Rot. Bonds5

About 4-(3-amino-5,5,5-trifluoropentanoyl)-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one

4-(3-amino-5,5,5-trifluoropentanoyl)-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one (PubChem CID 66660891) has the molecular formula C14H24F3N3O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 4-(3-amino-5,5,5-trifluoropentanoyl)-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one.

Molecular Properties

Compound Name4-(3-amino-5,5,5-trifluoropentanoyl)-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one
PubChem CID66660891
Molecular FormulaC14H24F3N3O3
Molecular Weight339.36 g/mol
Exact Mass339.18
IUPAC Name4-(3-amino-5,5,5-trifluoropentanoyl)-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one
SMILESCC(C)(C)OCC1C(=O)NCCN1C(=O)CC(N)CC(F)(F)F
InChIInChI=1S/C14H24F3N3O3/c1-13(2,3)23-8-10-12(22)19-4-5-20(10)11(21)6-9(18)7-14(15,16)17/h9-10H,4-8,18H2,1-3H3,(H,19,22)
InChIKeyLFHMFVIFKIIQJS-UHFFFAOYSA-N
XLogP0.80
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-5,5,5-trifluoropentanoyl)-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one?
The IUPAC name of 4-(3-amino-5,5,5-trifluoropentanoyl)-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one (CID 66660891) is 4-(3-amino-5,5,5-trifluoropentanoyl)-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one.
What is the SMILES notation for 4-(3-amino-5,5,5-trifluoropentanoyl)-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one?
The canonical SMILES for 4-(3-amino-5,5,5-trifluoropentanoyl)-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one is CC(C)(C)OCC1C(=O)NCCN1C(=O)CC(N)CC(F)(F)F.
What is the InChIKey of 4-(3-amino-5,5,5-trifluoropentanoyl)-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one?
The InChIKey is LFHMFVIFKIIQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O3/c1-13(2,3)23-8-10-12(22)19-4-5-20(10)11(21)6-9(18)7-14(15,16)17/h9-10H,4-8,18H2,1-3H3,(H,19,22).
What are the key properties of 4-(3-amino-5,5,5-trifluoropentanoyl)-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one?
4-(3-amino-5,5,5-trifluoropentanoyl)-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one has a molecular weight of 339.36 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-5,5,5-trifluoropentanoyl)-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one is sourced from PubChem (CID 66660891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).