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

C16H23F3N2O2 — CID 71983936

IUPAC2-(cyclohexen-1-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide
SMILESO=C(CC1=CCCCC1)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/h4,13H,1-3,5-11H2,(H,20,22)
InChIKeyOTVWBZBYLXIQBE-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.79
Rot. Bonds4

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

2-(cyclohexen-1-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide (PubChem CID 71983936) has the molecular formula C16H23F3N2O2 and a molecular weight of 332.37 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide
PubChem CID71983936
Molecular FormulaC16H23F3N2O2
Molecular Weight332.37 g/mol
Exact Mass332.17
IUPAC Name2-(cyclohexen-1-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide
SMILESO=C(CC1=CCCCC1)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/h4,13H,1-3,5-11H2,(H,20,22)
InChIKeyOTVWBZBYLXIQBE-UHFFFAOYSA-N
XLogP2.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide (CID 71983936) is 2-(cyclohexen-1-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide is O=C(CC1=CCCCC1)NCC1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is OTVWBZBYLXIQBE-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/h4,13H,1-3,5-11H2,(H,20,22).
What are the key properties of 2-(cyclohexen-1-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide?
2-(cyclohexen-1-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 332.37 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 71983936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).