[1-methyl-2-oxo-3-[(3R)-piperidin-3-yl]imidazolidin-4-yl] 2,2,2-trifluoroacetate

C11H16F3N3O3 — CID 156750019

IUPAC[1-methyl-2-oxo-3-[(3R)-piperidin-3-yl]imidazolidin-4-yl] 2,2,2-trifluoroacetate
SMILESCN1CC(OC(=O)C(F)(F)F)N([C@@H]2CCCNC2)C1=O
InChIInChI=1S/C11H16F3N3O3/c1-16-6-8(20-9(18)11(12,13)14)17(10(16)19)7-3-2-4-15-5-7/h7-8,15H,2-6H2,1H3/t7-,8?/m1/s1
InChIKeyAELFYEUWBSYNIL-GVHYBUMESA-N
MW295.26 g/mol
LogP0.54
Rot. Bonds2

About [1-methyl-2-oxo-3-[(3R)-piperidin-3-yl]imidazolidin-4-yl] 2,2,2-trifluoroacetate

[1-methyl-2-oxo-3-[(3R)-piperidin-3-yl]imidazolidin-4-yl] 2,2,2-trifluoroacetate (PubChem CID 156750019) has the molecular formula C11H16F3N3O3 and a molecular weight of 295.26 g/mol. Its IUPAC name is [1-methyl-2-oxo-3-[(3R)-piperidin-3-yl]imidazolidin-4-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[1-methyl-2-oxo-3-[(3R)-piperidin-3-yl]imidazolidin-4-yl] 2,2,2-trifluoroacetate
PubChem CID156750019
Molecular FormulaC11H16F3N3O3
Molecular Weight295.26 g/mol
Exact Mass295.11
IUPAC Name[1-methyl-2-oxo-3-[(3R)-piperidin-3-yl]imidazolidin-4-yl] 2,2,2-trifluoroacetate
SMILESCN1CC(OC(=O)C(F)(F)F)N([C@@H]2CCCNC2)C1=O
InChIInChI=1S/C11H16F3N3O3/c1-16-6-8(20-9(18)11(12,13)14)17(10(16)19)7-3-2-4-15-5-7/h7-8,15H,2-6H2,1H3/t7-,8?/m1/s1
InChIKeyAELFYEUWBSYNIL-GVHYBUMESA-N
XLogP0.54
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-2-oxo-3-[(3R)-piperidin-3-yl]imidazolidin-4-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [1-methyl-2-oxo-3-[(3R)-piperidin-3-yl]imidazolidin-4-yl] 2,2,2-trifluoroacetate (CID 156750019) is [1-methyl-2-oxo-3-[(3R)-piperidin-3-yl]imidazolidin-4-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [1-methyl-2-oxo-3-[(3R)-piperidin-3-yl]imidazolidin-4-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [1-methyl-2-oxo-3-[(3R)-piperidin-3-yl]imidazolidin-4-yl] 2,2,2-trifluoroacetate is CN1CC(OC(=O)C(F)(F)F)N([C@@H]2CCCNC2)C1=O.
What is the InChIKey of [1-methyl-2-oxo-3-[(3R)-piperidin-3-yl]imidazolidin-4-yl] 2,2,2-trifluoroacetate?
The InChIKey is AELFYEUWBSYNIL-GVHYBUMESA-N. The full InChI is InChI=1S/C11H16F3N3O3/c1-16-6-8(20-9(18)11(12,13)14)17(10(16)19)7-3-2-4-15-5-7/h7-8,15H,2-6H2,1H3/t7-,8?/m1/s1.
What are the key properties of [1-methyl-2-oxo-3-[(3R)-piperidin-3-yl]imidazolidin-4-yl] 2,2,2-trifluoroacetate?
[1-methyl-2-oxo-3-[(3R)-piperidin-3-yl]imidazolidin-4-yl] 2,2,2-trifluoroacetate has a molecular weight of 295.26 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-2-oxo-3-[(3R)-piperidin-3-yl]imidazolidin-4-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 156750019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).