[2-oxo-2-[piperidin-4-yl(propyl)amino]ethyl] 2,2,2-trifluoroacetate

C12H19F3N2O3 — CID 155407879

IUPAC[2-oxo-2-[piperidin-4-yl(propyl)amino]ethyl] 2,2,2-trifluoroacetate
SMILESCCCN(C(=O)COC(=O)C(F)(F)F)C1CCNCC1
InChIInChI=1S/C12H19F3N2O3/c1-2-7-17(9-3-5-16-6-4-9)10(18)8-20-11(19)12(13,14)15/h9,16H,2-8H2,1H3
InChIKeyHBVGTJXEUCMJCC-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.08
Rot. Bonds5

About [2-oxo-2-[piperidin-4-yl(propyl)amino]ethyl] 2,2,2-trifluoroacetate

[2-oxo-2-[piperidin-4-yl(propyl)amino]ethyl] 2,2,2-trifluoroacetate (PubChem CID 155407879) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is [2-oxo-2-[piperidin-4-yl(propyl)amino]ethyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[2-oxo-2-[piperidin-4-yl(propyl)amino]ethyl] 2,2,2-trifluoroacetate
PubChem CID155407879
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Name[2-oxo-2-[piperidin-4-yl(propyl)amino]ethyl] 2,2,2-trifluoroacetate
SMILESCCCN(C(=O)COC(=O)C(F)(F)F)C1CCNCC1
InChIInChI=1S/C12H19F3N2O3/c1-2-7-17(9-3-5-16-6-4-9)10(18)8-20-11(19)12(13,14)15/h9,16H,2-8H2,1H3
InChIKeyHBVGTJXEUCMJCC-UHFFFAOYSA-N
XLogP1.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[piperidin-4-yl(propyl)amino]ethyl] 2,2,2-trifluoroacetate?
The IUPAC name of [2-oxo-2-[piperidin-4-yl(propyl)amino]ethyl] 2,2,2-trifluoroacetate (CID 155407879) is [2-oxo-2-[piperidin-4-yl(propyl)amino]ethyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [2-oxo-2-[piperidin-4-yl(propyl)amino]ethyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [2-oxo-2-[piperidin-4-yl(propyl)amino]ethyl] 2,2,2-trifluoroacetate is CCCN(C(=O)COC(=O)C(F)(F)F)C1CCNCC1.
What is the InChIKey of [2-oxo-2-[piperidin-4-yl(propyl)amino]ethyl] 2,2,2-trifluoroacetate?
The InChIKey is HBVGTJXEUCMJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c1-2-7-17(9-3-5-16-6-4-9)10(18)8-20-11(19)12(13,14)15/h9,16H,2-8H2,1H3.
What are the key properties of [2-oxo-2-[piperidin-4-yl(propyl)amino]ethyl] 2,2,2-trifluoroacetate?
[2-oxo-2-[piperidin-4-yl(propyl)amino]ethyl] 2,2,2-trifluoroacetate has a molecular weight of 296.29 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[piperidin-4-yl(propyl)amino]ethyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 155407879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).