2,2,2-trifluoro-N-[3-[piperidin-4-yl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide

C12H17F6N3O2 — CID 22137527

IUPAC2,2,2-trifluoro-N-[3-[piperidin-4-yl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide
SMILESO=C(NCCCN(C(=O)C(F)(F)F)C1CCNCC1)C(F)(F)F
InChIInChI=1S/C12H17F6N3O2/c13-11(14,15)9(22)20-4-1-7-21(10(23)12(16,17)18)8-2-5-19-6-3-8/h8,19H,1-7H2,(H,20,22)
InChIKeyUIKCPFRRUOWQHT-UHFFFAOYSA-N
MW349.28 g/mol
LogP1.20
Rot. Bonds5

About 2,2,2-trifluoro-N-[3-[piperidin-4-yl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide

2,2,2-trifluoro-N-[3-[piperidin-4-yl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide (PubChem CID 22137527) has the molecular formula C12H17F6N3O2 and a molecular weight of 349.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[3-[piperidin-4-yl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[3-[piperidin-4-yl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide
PubChem CID22137527
Molecular FormulaC12H17F6N3O2
Molecular Weight349.28 g/mol
Exact Mass349.12
IUPAC Name2,2,2-trifluoro-N-[3-[piperidin-4-yl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide
SMILESO=C(NCCCN(C(=O)C(F)(F)F)C1CCNCC1)C(F)(F)F
InChIInChI=1S/C12H17F6N3O2/c13-11(14,15)9(22)20-4-1-7-21(10(23)12(16,17)18)8-2-5-19-6-3-8/h8,19H,1-7H2,(H,20,22)
InChIKeyUIKCPFRRUOWQHT-UHFFFAOYSA-N
XLogP1.20
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.28
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[3-[piperidin-4-yl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[3-[piperidin-4-yl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide (CID 22137527) is 2,2,2-trifluoro-N-[3-[piperidin-4-yl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[3-[piperidin-4-yl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[3-[piperidin-4-yl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide is O=C(NCCCN(C(=O)C(F)(F)F)C1CCNCC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[3-[piperidin-4-yl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide?
The InChIKey is UIKCPFRRUOWQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F6N3O2/c13-11(14,15)9(22)20-4-1-7-21(10(23)12(16,17)18)8-2-5-19-6-3-8/h8,19H,1-7H2,(H,20,22).
What are the key properties of 2,2,2-trifluoro-N-[3-[piperidin-4-yl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide?
2,2,2-trifluoro-N-[3-[piperidin-4-yl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide has a molecular weight of 349.28 g/mol, XLogP of 1.20, 5 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-[3-[piperidin-4-yl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide is sourced from PubChem (CID 22137527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).