2-cyclohexylidene-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide

C16H23F3N2O2 — CID 108932943

IUPAC2-cyclohexylidene-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide
SMILESO=C(C=C1CCCCC1)NCC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C16H23F3N2O2/c17-16(18,19)15(23)21-8-6-13(7-9-21)11-20-14(22)10-12-4-2-1-3-5-12/h10,13H,1-9,11H2,(H,20,22)
InChIKeyUAERDEALVJKBCV-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.79
Rot. Bonds3

About 2-cyclohexylidene-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide

2-cyclohexylidene-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide (PubChem CID 108932943) has the molecular formula C16H23F3N2O2 and a molecular weight of 332.37 g/mol. Its IUPAC name is 2-cyclohexylidene-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclohexylidene-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide
PubChem CID108932943
Molecular FormulaC16H23F3N2O2
Molecular Weight332.37 g/mol
Exact Mass332.17
IUPAC Name2-cyclohexylidene-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide
SMILESO=C(C=C1CCCCC1)NCC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C16H23F3N2O2/c17-16(18,19)15(23)21-8-6-13(7-9-21)11-20-14(22)10-12-4-2-1-3-5-12/h10,13H,1-9,11H2,(H,20,22)
InChIKeyUAERDEALVJKBCV-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 2-cyclohexylidene-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-cyclohexylidene-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide (CID 108932943) is 2-cyclohexylidene-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-cyclohexylidene-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-cyclohexylidene-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide is O=C(C=C1CCCCC1)NCC1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 2-cyclohexylidene-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is UAERDEALVJKBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O2/c17-16(18,19)15(23)21-8-6-13(7-9-21)11-20-14(22)10-12-4-2-1-3-5-12/h10,13H,1-9,11H2,(H,20,22).
What are the key properties of 2-cyclohexylidene-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide?
2-cyclohexylidene-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide 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 2-cyclohexylidene-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 108932943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).