N-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

C22H27F3N2O2 — CID 24817063

IUPACN-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C22H27F3N2O2/c23-22(24,25)19-8-4-7-17(13-19)14-27-15-18(9-10-20(27)28)21(29)26-12-11-16-5-2-1-3-6-16/h4-5,7-8,13,18H,1-3,6,9-12,14-15H2,(H,26,29)
InChIKeyBRTJBEPJKOTAIY-UHFFFAOYSA-N
MW408.46 g/mol
LogP4.45
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 24817063) has the molecular formula C22H27F3N2O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID24817063
Molecular FormulaC22H27F3N2O2
Molecular Weight408.46 g/mol
Exact Mass408.20
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C22H27F3N2O2/c23-22(24,25)19-8-4-7-17(13-19)14-27-15-18(9-10-20(27)28)21(29)26-12-11-16-5-2-1-3-6-16/h4-5,7-8,13,18H,1-3,6,9-12,14-15H2,(H,26,29)
InChIKeyBRTJBEPJKOTAIY-UHFFFAOYSA-N
XLogP4.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.45
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-((1S)-3-(4-(N-ethyl-2-(4-(trifluoromethyl)phenyl)acetamido)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide
CID 44590634
1-N-benzyl-3-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 3222825
1-cyclopropyl-N-(2,3-difluorobenzyl)-6-oxo-3-piperidinecarboxamide
CID 24793923
1-cyclopropyl-N-(3-methylbenzyl)-6-oxo-3-piperidinecarboxamide
CID 24794298
N,N'-bis(4-fluorobenzyl)pentanediamide
CID 2165956
N-[1-(3,4-Difluoro-benzyl)-piperidin-4-yl]-2-phenyl-acetamide
CID 9819510
(2S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(4-fluorophenyl)-4-(4-phenylpiperidin-1-yl)butanamide
CID 9873546
N-[1-(4-Fluoro-benzyl)-piperidin-4-yl]-2-(3-fluoro-phenyl)-acetamide
CID 9906138
N-[1-(4-Fluoro-benzyl)-piperidin-4-yl]-2-(2-fluoro-phenyl)-acetamide
CID 9906139
(R)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(4-fluorophenyl)-4-(4-phenylpiperidin-1-yl)butanamide
CID 11843813
(S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(4-fluorophenyl)-5-(piperidin-1-yl)pentanamide
CID 11843945
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-cyclopropyl-4-spiro[indene-1,4'-piperidine]-1'-ylbutanamide
CID 44415898

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (CID 24817063) is N-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is O=C(NCCC1=CCCCC1)C1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is BRTJBEPJKOTAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N2O2/c23-22(24,25)19-8-4-7-17(13-19)14-27-15-18(9-10-20(27)28)21(29)26-12-11-16-5-2-1-3-6-16/h4-5,7-8,13,18H,1-3,6,9-12,14-15H2,(H,26,29).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 4.45, 6 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]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 24817063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).