N-[[1-(2-cyclohexylideneacetyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide

C16H23F3N2O2 — CID 108932942

IUPACN-[[1-(2-cyclohexylideneacetyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide
SMILESO=C(C=C1CCCCC1)N1CCC(CNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C16H23F3N2O2/c17-16(18,19)15(23)20-11-13-6-8-21(9-7-13)14(22)10-12-4-2-1-3-5-12/h10,13H,1-9,11H2,(H,20,23)
InChIKeyYUGKSKHWCNWEHN-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.79
Rot. Bonds3

About N-[[1-(2-cyclohexylideneacetyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide

N-[[1-(2-cyclohexylideneacetyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide (PubChem CID 108932942) has the molecular formula C16H23F3N2O2 and a molecular weight of 332.37 g/mol. Its IUPAC name is N-[[1-(2-cyclohexylideneacetyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[[1-(2-cyclohexylideneacetyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide
PubChem CID108932942
Molecular FormulaC16H23F3N2O2
Molecular Weight332.37 g/mol
Exact Mass332.17
IUPAC NameN-[[1-(2-cyclohexylideneacetyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide
SMILESO=C(C=C1CCCCC1)N1CCC(CNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C16H23F3N2O2/c17-16(18,19)15(23)20-11-13-6-8-21(9-7-13)14(22)10-12-4-2-1-3-5-12/h10,13H,1-9,11H2,(H,20,23)
InChIKeyYUGKSKHWCNWEHN-UHFFFAOYSA-N
XLogP2.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-cyclohexylideneacetyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[[1-(2-cyclohexylideneacetyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide (CID 108932942) is N-[[1-(2-cyclohexylideneacetyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[[1-(2-cyclohexylideneacetyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[[1-(2-cyclohexylideneacetyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide is O=C(C=C1CCCCC1)N1CCC(CNC(=O)C(F)(F)F)CC1.
What is the InChIKey of N-[[1-(2-cyclohexylideneacetyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide?
The InChIKey is YUGKSKHWCNWEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O2/c17-16(18,19)15(23)20-11-13-6-8-21(9-7-13)14(22)10-12-4-2-1-3-5-12/h10,13H,1-9,11H2,(H,20,23).
What are the key properties of N-[[1-(2-cyclohexylideneacetyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide?
N-[[1-(2-cyclohexylideneacetyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide has a molecular weight of 332.37 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-cyclohexylideneacetyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 108932942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).