2,2,2-trifluoro-N-[2-[piperidin-4-yl-(2,2,2-trifluoroacetyl)amino]ethyl]acetamide

C11H15F6N3O2 — CID 22137541

IUPAC2,2,2-trifluoro-N-[2-[piperidin-4-yl-(2,2,2-trifluoroacetyl)amino]ethyl]acetamide
SMILESO=C(NCCN(C(=O)C(F)(F)F)C1CCNCC1)C(F)(F)F
InChIInChI=1S/C11H15F6N3O2/c12-10(13,14)8(21)19-5-6-20(9(22)11(15,16)17)7-1-3-18-4-2-7/h7,18H,1-6H2,(H,19,21)
InChIKeyWLVGPWGZXACBLM-UHFFFAOYSA-N
MW335.25 g/mol
LogP0.81
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-[piperidin-4-yl-(2,2,2-trifluoroacetyl)amino]ethyl]acetamide

2,2,2-trifluoro-N-[2-[piperidin-4-yl-(2,2,2-trifluoroacetyl)amino]ethyl]acetamide (PubChem CID 22137541) has the molecular formula C11H15F6N3O2 and a molecular weight of 335.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[piperidin-4-yl-(2,2,2-trifluoroacetyl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[piperidin-4-yl-(2,2,2-trifluoroacetyl)amino]ethyl]acetamide
PubChem CID22137541
Molecular FormulaC11H15F6N3O2
Molecular Weight335.25 g/mol
Exact Mass335.11
IUPAC Name2,2,2-trifluoro-N-[2-[piperidin-4-yl-(2,2,2-trifluoroacetyl)amino]ethyl]acetamide
SMILESO=C(NCCN(C(=O)C(F)(F)F)C1CCNCC1)C(F)(F)F
InChIInChI=1S/C11H15F6N3O2/c12-10(13,14)8(21)19-5-6-20(9(22)11(15,16)17)7-1-3-18-4-2-7/h7,18H,1-6H2,(H,19,21)
InChIKeyWLVGPWGZXACBLM-UHFFFAOYSA-N
XLogP0.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[piperidin-4-yl-(2,2,2-trifluoroacetyl)amino]ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-[piperidin-4-yl-(2,2,2-trifluoroacetyl)amino]ethyl]acetamide (CID 22137541) is 2,2,2-trifluoro-N-[2-[piperidin-4-yl-(2,2,2-trifluoroacetyl)amino]ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[piperidin-4-yl-(2,2,2-trifluoroacetyl)amino]ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[piperidin-4-yl-(2,2,2-trifluoroacetyl)amino]ethyl]acetamide is O=C(NCCN(C(=O)C(F)(F)F)C1CCNCC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[piperidin-4-yl-(2,2,2-trifluoroacetyl)amino]ethyl]acetamide?
The InChIKey is WLVGPWGZXACBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F6N3O2/c12-10(13,14)8(21)19-5-6-20(9(22)11(15,16)17)7-1-3-18-4-2-7/h7,18H,1-6H2,(H,19,21).
What are the key properties of 2,2,2-trifluoro-N-[2-[piperidin-4-yl-(2,2,2-trifluoroacetyl)amino]ethyl]acetamide?
2,2,2-trifluoro-N-[2-[piperidin-4-yl-(2,2,2-trifluoroacetyl)amino]ethyl]acetamide has a molecular weight of 335.25 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[piperidin-4-yl-(2,2,2-trifluoroacetyl)amino]ethyl]acetamide is sourced from PubChem (CID 22137541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).