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

C14H24F3N3O3 — CID 140574441

IUPAC(3R)-4-[(3R)-3-amino-5,5,5-trifluoropentanoyl]-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one
SMILESCC(C)(C)OC[C@@H]1C(=O)NCCN1C(=O)C[C@@H](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)/t9-,10-/m1/s1
InChIKeyLFHMFVIFKIIQJS-NXEZZACHSA-N
MW339.36 g/mol
LogP0.80
Rot. Bonds5

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

(3R)-4-[(3R)-3-amino-5,5,5-trifluoropentanoyl]-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one (PubChem CID 140574441) has the molecular formula C14H24F3N3O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is (3R)-4-[(3R)-3-amino-5,5,5-trifluoropentanoyl]-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-4-[(3R)-3-amino-5,5,5-trifluoropentanoyl]-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one
PubChem CID140574441
Molecular FormulaC14H24F3N3O3
Molecular Weight339.36 g/mol
Exact Mass339.18
IUPAC Name(3R)-4-[(3R)-3-amino-5,5,5-trifluoropentanoyl]-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one
SMILESCC(C)(C)OC[C@@H]1C(=O)NCCN1C(=O)C[C@@H](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)/t9-,10-/m1/s1
InChIKeyLFHMFVIFKIIQJS-NXEZZACHSA-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 (3R)-4-[(3R)-3-amino-5,5,5-trifluoropentanoyl]-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one?
The IUPAC name of (3R)-4-[(3R)-3-amino-5,5,5-trifluoropentanoyl]-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one (CID 140574441) is (3R)-4-[(3R)-3-amino-5,5,5-trifluoropentanoyl]-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one.
What is the SMILES notation for (3R)-4-[(3R)-3-amino-5,5,5-trifluoropentanoyl]-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one?
The canonical SMILES for (3R)-4-[(3R)-3-amino-5,5,5-trifluoropentanoyl]-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one is CC(C)(C)OC[C@@H]1C(=O)NCCN1C(=O)C[C@@H](N)CC(F)(F)F.
What is the InChIKey of (3R)-4-[(3R)-3-amino-5,5,5-trifluoropentanoyl]-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one?
The InChIKey is LFHMFVIFKIIQJS-NXEZZACHSA-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)/t9-,10-/m1/s1.
What are the key properties of (3R)-4-[(3R)-3-amino-5,5,5-trifluoropentanoyl]-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one?
(3R)-4-[(3R)-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 (3R)-4-[(3R)-3-amino-5,5,5-trifluoropentanoyl]-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one is sourced from PubChem (CID 140574441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).