[2-oxo-2-(4-piperazin-1-ylpiperidin-1-yl)ethyl] 2,2,2-trifluoroacetate

C13H20F3N3O3 — CID 142761303

IUPAC[2-oxo-2-(4-piperazin-1-ylpiperidin-1-yl)ethyl] 2,2,2-trifluoroacetate
SMILESO=C(COC(=O)C(F)(F)F)N1CCC(N2CCNCC2)CC1
InChIInChI=1S/C13H20F3N3O3/c14-13(15,16)12(21)22-9-11(20)19-5-1-10(2-6-19)18-7-3-17-4-8-18/h10,17H,1-9H2
InChIKeySWZKFPHEOIKDHC-UHFFFAOYSA-N
MW323.32 g/mol
LogP-0.01
Rot. Bonds3

About [2-oxo-2-(4-piperazin-1-ylpiperidin-1-yl)ethyl] 2,2,2-trifluoroacetate

[2-oxo-2-(4-piperazin-1-ylpiperidin-1-yl)ethyl] 2,2,2-trifluoroacetate (PubChem CID 142761303) has the molecular formula C13H20F3N3O3 and a molecular weight of 323.32 g/mol. Its IUPAC name is [2-oxo-2-(4-piperazin-1-ylpiperidin-1-yl)ethyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[2-oxo-2-(4-piperazin-1-ylpiperidin-1-yl)ethyl] 2,2,2-trifluoroacetate
PubChem CID142761303
Molecular FormulaC13H20F3N3O3
Molecular Weight323.32 g/mol
Exact Mass323.15
IUPAC Name[2-oxo-2-(4-piperazin-1-ylpiperidin-1-yl)ethyl] 2,2,2-trifluoroacetate
SMILESO=C(COC(=O)C(F)(F)F)N1CCC(N2CCNCC2)CC1
InChIInChI=1S/C13H20F3N3O3/c14-13(15,16)12(21)22-9-11(20)19-5-1-10(2-6-19)18-7-3-17-4-8-18/h10,17H,1-9H2
InChIKeySWZKFPHEOIKDHC-UHFFFAOYSA-N
XLogP-0.01
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-piperazin-1-ylpiperidin-1-yl)ethyl] 2,2,2-trifluoroacetate?
The IUPAC name of [2-oxo-2-(4-piperazin-1-ylpiperidin-1-yl)ethyl] 2,2,2-trifluoroacetate (CID 142761303) is [2-oxo-2-(4-piperazin-1-ylpiperidin-1-yl)ethyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [2-oxo-2-(4-piperazin-1-ylpiperidin-1-yl)ethyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [2-oxo-2-(4-piperazin-1-ylpiperidin-1-yl)ethyl] 2,2,2-trifluoroacetate is O=C(COC(=O)C(F)(F)F)N1CCC(N2CCNCC2)CC1.
What is the InChIKey of [2-oxo-2-(4-piperazin-1-ylpiperidin-1-yl)ethyl] 2,2,2-trifluoroacetate?
The InChIKey is SWZKFPHEOIKDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O3/c14-13(15,16)12(21)22-9-11(20)19-5-1-10(2-6-19)18-7-3-17-4-8-18/h10,17H,1-9H2.
What are the key properties of [2-oxo-2-(4-piperazin-1-ylpiperidin-1-yl)ethyl] 2,2,2-trifluoroacetate?
[2-oxo-2-(4-piperazin-1-ylpiperidin-1-yl)ethyl] 2,2,2-trifluoroacetate has a molecular weight of 323.32 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-piperazin-1-ylpiperidin-1-yl)ethyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 142761303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).