N-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

C16H23F3N2O2 — CID 110344023

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C16H23F3N2O2/c17-16(18,19)15(23)21-10-7-13(8-11-21)14(22)20-9-6-12-4-2-1-3-5-12/h4,13H,1-3,5-11H2,(H,20,22)
InChIKeyLGMFQBUHOQTOLK-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.79
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 110344023) has the molecular formula C16H23F3N2O2 and a molecular weight of 332.37 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID110344023
Molecular FormulaC16H23F3N2O2
Molecular Weight332.37 g/mol
Exact Mass332.17
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C16H23F3N2O2/c17-16(18,19)15(23)21-10-7-13(8-11-21)14(22)20-9-6-12-4-2-1-3-5-12/h4,13H,1-3,5-11H2,(H,20,22)
InChIKeyLGMFQBUHOQTOLK-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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Related Compounds

N-(2-cyclohex-1-en-1-ylethyl)-1-[(diethylamino)sulfonyl]piperidine-4-carboxamide
CID 5187962
4-N-[2-(cyclohexen-1-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 5093494
N,N'-bis[2-(cyclohex-1-en-1-yl)ethyl]-2,2,3,3-tetrafluorobutanediamide
CID 3545057
N,N'-bis[2-(cyclohexen-1-yl)ethyl]-2,2,3,3,4,4,5,5-octafluorohexanediamide
CID 4674934
N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]cyclopent-3-ene-1-carboxamide
CID 71866672
2-(cyclohexen-1-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide
CID 71983936
2-(4-methylcyclohexylidene)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide
CID 75408170
(2-methylpiperidin-4-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 106740744
N-[[1-(2-cyclohexylideneacetyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide
CID 108932942
2-cyclohexylidene-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide
CID 108932943
N-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
CID 110344189
3-piperidin-3-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 114489837

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 110344023) is N-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is O=C(NCCC1=CCCCC1)C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is LGMFQBUHOQTOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O2/c17-16(18,19)15(23)21-10-7-13(8-11-21)14(22)20-9-6-12-4-2-1-3-5-12/h4,13H,1-3,5-11H2,(H,20,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide 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 N-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 110344023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).