N-(4-cyano-1-methylpiperidin-4-yl)-2,2,2-trifluoroacetamide

C9H12F3N3O — CID 55139322

IUPACN-(4-cyano-1-methylpiperidin-4-yl)-2,2,2-trifluoroacetamide
SMILESCN1CCC(C#N)(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H12F3N3O/c1-15-4-2-8(6-13,3-5-15)14-7(16)9(10,11)12/h2-5H2,1H3,(H,14,16)
InChIKeyCBUFJXWEQDFYLN-UHFFFAOYSA-N
MW235.21 g/mol
LogP0.65
Rot. Bonds1

About N-(4-cyano-1-methylpiperidin-4-yl)-2,2,2-trifluoroacetamide

N-(4-cyano-1-methylpiperidin-4-yl)-2,2,2-trifluoroacetamide (PubChem CID 55139322) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is N-(4-cyano-1-methylpiperidin-4-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpiperidin-4-yl)-2,2,2-trifluoroacetamide
PubChem CID55139322
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC NameN-(4-cyano-1-methylpiperidin-4-yl)-2,2,2-trifluoroacetamide
SMILESCN1CCC(C#N)(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H12F3N3O/c1-15-4-2-8(6-13,3-5-15)14-7(16)9(10,11)12/h2-5H2,1H3,(H,14,16)
InChIKeyCBUFJXWEQDFYLN-UHFFFAOYSA-N
XLogP0.65
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpiperidin-4-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(4-cyano-1-methylpiperidin-4-yl)-2,2,2-trifluoroacetamide (CID 55139322) is N-(4-cyano-1-methylpiperidin-4-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(4-cyano-1-methylpiperidin-4-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(4-cyano-1-methylpiperidin-4-yl)-2,2,2-trifluoroacetamide is CN1CCC(C#N)(NC(=O)C(F)(F)F)CC1.
What is the InChIKey of N-(4-cyano-1-methylpiperidin-4-yl)-2,2,2-trifluoroacetamide?
The InChIKey is CBUFJXWEQDFYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-15-4-2-8(6-13,3-5-15)14-7(16)9(10,11)12/h2-5H2,1H3,(H,14,16).
What are the key properties of N-(4-cyano-1-methylpiperidin-4-yl)-2,2,2-trifluoroacetamide?
N-(4-cyano-1-methylpiperidin-4-yl)-2,2,2-trifluoroacetamide has a molecular weight of 235.21 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpiperidin-4-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 55139322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).