N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-2-cyclohexylideneacetamide

C16H23F3N2O2 — CID 128985927

IUPACN-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-2-cyclohexylideneacetamide
SMILESCC(=O)N1CC(NC(=O)C=C2CCCCC2)CCC1C(F)(F)F
InChIInChI=1S/C16H23F3N2O2/c1-11(22)21-10-13(7-8-14(21)16(17,18)19)20-15(23)9-12-5-3-2-4-6-12/h9,13-14H,2-8,10H2,1H3,(H,20,23)
InChIKeyBVXIAVVTKPAWLA-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.93
Rot. Bonds2

About N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-2-cyclohexylideneacetamide

N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-2-cyclohexylideneacetamide (PubChem CID 128985927) has the molecular formula C16H23F3N2O2 and a molecular weight of 332.37 g/mol. Its IUPAC name is N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-2-cyclohexylideneacetamide.

Molecular Properties

Compound NameN-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-2-cyclohexylideneacetamide
PubChem CID128985927
Molecular FormulaC16H23F3N2O2
Molecular Weight332.37 g/mol
Exact Mass332.17
IUPAC NameN-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-2-cyclohexylideneacetamide
SMILESCC(=O)N1CC(NC(=O)C=C2CCCCC2)CCC1C(F)(F)F
InChIInChI=1S/C16H23F3N2O2/c1-11(22)21-10-13(7-8-14(21)16(17,18)19)20-15(23)9-12-5-3-2-4-6-12/h9,13-14H,2-8,10H2,1H3,(H,20,23)
InChIKeyBVXIAVVTKPAWLA-UHFFFAOYSA-N
XLogP2.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.93
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-acetyl-6-(trifluoromethyl)piperidin-3-yl]-2-cyclohexylideneacetamide?
The IUPAC name of N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-2-cyclohexylideneacetamide (CID 128985927) is N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-2-cyclohexylideneacetamide.
What is the SMILES notation for N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-2-cyclohexylideneacetamide?
The canonical SMILES for N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-2-cyclohexylideneacetamide is CC(=O)N1CC(NC(=O)C=C2CCCCC2)CCC1C(F)(F)F.
What is the InChIKey of N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-2-cyclohexylideneacetamide?
The InChIKey is BVXIAVVTKPAWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O2/c1-11(22)21-10-13(7-8-14(21)16(17,18)19)20-15(23)9-12-5-3-2-4-6-12/h9,13-14H,2-8,10H2,1H3,(H,20,23).
What are the key properties of N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-2-cyclohexylideneacetamide?
N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-2-cyclohexylideneacetamide has a molecular weight of 332.37 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-2-cyclohexylideneacetamide is sourced from PubChem (CID 128985927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).