1-cyclohexyl-4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-2-one

C13H19F3N2O3 — CID 56875313

IUPAC1-cyclohexyl-4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-2-one
SMILESO=C(C(O)C(F)(F)F)N1CCN(C2CCCCC2)C(=O)C1
InChIInChI=1S/C13H19F3N2O3/c14-13(15,16)11(20)12(21)17-6-7-18(10(19)8-17)9-4-2-1-3-5-9/h9,11,20H,1-8H2
InChIKeyJMMCQNOUYHCETK-UHFFFAOYSA-N
MW308.30 g/mol
LogP0.91
Rot. Bonds2

About 1-cyclohexyl-4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-2-one

1-cyclohexyl-4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-2-one (PubChem CID 56875313) has the molecular formula C13H19F3N2O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is 1-cyclohexyl-4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-2-one
PubChem CID56875313
Molecular FormulaC13H19F3N2O3
Molecular Weight308.30 g/mol
Exact Mass308.13
IUPAC Name1-cyclohexyl-4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-2-one
SMILESO=C(C(O)C(F)(F)F)N1CCN(C2CCCCC2)C(=O)C1
InChIInChI=1S/C13H19F3N2O3/c14-13(15,16)11(20)12(21)17-6-7-18(10(19)8-17)9-4-2-1-3-5-9/h9,11,20H,1-8H2
InChIKeyJMMCQNOUYHCETK-UHFFFAOYSA-N
XLogP0.91
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-2-one?
The IUPAC name of 1-cyclohexyl-4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-2-one (CID 56875313) is 1-cyclohexyl-4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-2-one.
What is the SMILES notation for 1-cyclohexyl-4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-2-one?
The canonical SMILES for 1-cyclohexyl-4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-2-one is O=C(C(O)C(F)(F)F)N1CCN(C2CCCCC2)C(=O)C1.
What is the InChIKey of 1-cyclohexyl-4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-2-one?
The InChIKey is JMMCQNOUYHCETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O3/c14-13(15,16)11(20)12(21)17-6-7-18(10(19)8-17)9-4-2-1-3-5-9/h9,11,20H,1-8H2.
What are the key properties of 1-cyclohexyl-4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-2-one?
1-cyclohexyl-4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-2-one has a molecular weight of 308.30 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-2-one is sourced from PubChem (CID 56875313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).