N-[2-cyclohexyl-1-(4-methylphenyl)ethyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide

C22H29F3N2O2 — CID 171903961

IUPACN-[2-cyclohexyl-1-(4-methylphenyl)ethyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESCc1ccc(C(CC2CCCCC2)NC(=O)C2CCC(C(F)(F)F)NC2=O)cc1
InChIInChI=1S/C22H29F3N2O2/c1-14-7-9-16(10-8-14)18(13-15-5-3-2-4-6-15)26-20(28)17-11-12-19(22(23,24)25)27-21(17)29/h7-10,15,17-19H,2-6,11-13H2,1H3,(H,26,28)(H,27,29)
InChIKeyPJGXNEHIBSYIJK-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.58
Rot. Bonds5

About N-[2-cyclohexyl-1-(4-methylphenyl)ethyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide

N-[2-cyclohexyl-1-(4-methylphenyl)ethyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide (PubChem CID 171903961) has the molecular formula C22H29F3N2O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-[2-cyclohexyl-1-(4-methylphenyl)ethyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-cyclohexyl-1-(4-methylphenyl)ethyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
PubChem CID171903961
Molecular FormulaC22H29F3N2O2
Molecular Weight410.48 g/mol
Exact Mass410.22
IUPAC NameN-[2-cyclohexyl-1-(4-methylphenyl)ethyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESCc1ccc(C(CC2CCCCC2)NC(=O)C2CCC(C(F)(F)F)NC2=O)cc1
InChIInChI=1S/C22H29F3N2O2/c1-14-7-9-16(10-8-14)18(13-15-5-3-2-4-6-15)26-20(28)17-11-12-19(22(23,24)25)27-21(17)29/h7-10,15,17-19H,2-6,11-13H2,1H3,(H,26,28)(H,27,29)
InChIKeyPJGXNEHIBSYIJK-UHFFFAOYSA-N
XLogP4.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(methylamino)phenyl]-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171903967
N-[2-cyclopentyl-1-(4-methylphenyl)ethyl]-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide
CID 171903982
2-oxo-N-[phenyl-(4-pyrimidin-2-ylphenyl)methyl]-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171903674
N-[(1R)-1-(4-methylphenyl)propyl]cyclohexanecarboxamide
CID 92675793
2-oxo-N-[phenyl-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171903659
N-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171904031
2-[[2-oxo-6-(trifluoromethyl)piperidine-3-carbonyl]amino]acetic acid
CID 119350377
N-[1-(4-methylphenyl)propyl]cyclopentanecarboxamide
CID 6469111
N-(2-cyclohexyl-1-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119314809
N-(2-methoxy-5-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171904055
(3S,6R)-N-(4-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 39907738
N-[(2S)-5-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-yl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171904041

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclohexyl-1-(4-methylphenyl)ethyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The IUPAC name of N-[2-cyclohexyl-1-(4-methylphenyl)ethyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide (CID 171903961) is N-[2-cyclohexyl-1-(4-methylphenyl)ethyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-cyclohexyl-1-(4-methylphenyl)ethyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-cyclohexyl-1-(4-methylphenyl)ethyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide is Cc1ccc(C(CC2CCCCC2)NC(=O)C2CCC(C(F)(F)F)NC2=O)cc1.
What is the InChIKey of N-[2-cyclohexyl-1-(4-methylphenyl)ethyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The InChIKey is PJGXNEHIBSYIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F3N2O2/c1-14-7-9-16(10-8-14)18(13-15-5-3-2-4-6-15)26-20(28)17-11-12-19(22(23,24)25)27-21(17)29/h7-10,15,17-19H,2-6,11-13H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[2-cyclohexyl-1-(4-methylphenyl)ethyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
N-[2-cyclohexyl-1-(4-methylphenyl)ethyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclohexyl-1-(4-methylphenyl)ethyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide is sourced from PubChem (CID 171903961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).