2-oxo-N-[phenyl-[4-(2,2,2-trifluoroethyl)phenyl]methyl]-6-(trifluoromethyl)piperidine-3-carboxamide

C22H20F6N2O2 — CID 171903772

IUPAC2-oxo-N-[phenyl-[4-(2,2,2-trifluoroethyl)phenyl]methyl]-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc(CC(F)(F)F)cc1)C1CCC(C(F)(F)F)NC1=O
InChIInChI=1S/C22H20F6N2O2/c23-21(24,25)12-13-6-8-15(9-7-13)18(14-4-2-1-3-5-14)30-20(32)16-10-11-17(22(26,27)28)29-19(16)31/h1-9,16-18H,10-12H2,(H,29,31)(H,30,32)
InChIKeyPCUJPVJOWKALDJ-UHFFFAOYSA-N
MW458.40 g/mol
LogP4.45
Rot. Bonds5

About 2-oxo-N-[phenyl-[4-(2,2,2-trifluoroethyl)phenyl]methyl]-6-(trifluoromethyl)piperidine-3-carboxamide

2-oxo-N-[phenyl-[4-(2,2,2-trifluoroethyl)phenyl]methyl]-6-(trifluoromethyl)piperidine-3-carboxamide (PubChem CID 171903772) has the molecular formula C22H20F6N2O2 and a molecular weight of 458.40 g/mol. Its IUPAC name is 2-oxo-N-[phenyl-[4-(2,2,2-trifluoroethyl)phenyl]methyl]-6-(trifluoromethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[phenyl-[4-(2,2,2-trifluoroethyl)phenyl]methyl]-6-(trifluoromethyl)piperidine-3-carboxamide
PubChem CID171903772
Molecular FormulaC22H20F6N2O2
Molecular Weight458.40 g/mol
Exact Mass458.14
IUPAC Name2-oxo-N-[phenyl-[4-(2,2,2-trifluoroethyl)phenyl]methyl]-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc(CC(F)(F)F)cc1)C1CCC(C(F)(F)F)NC1=O
InChIInChI=1S/C22H20F6N2O2/c23-21(24,25)12-13-6-8-15(9-7-13)18(14-4-2-1-3-5-14)30-20(32)16-10-11-17(22(26,27)28)29-19(16)31/h1-9,16-18H,10-12H2,(H,29,31)(H,30,32)
InChIKeyPCUJPVJOWKALDJ-UHFFFAOYSA-N
XLogP4.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.40
LogP ≤ 54.45
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

2-oxo-N-[phenyl-(4-pyrimidin-2-ylphenyl)methyl]-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171903674
2-oxo-N-[phenyl-(4-piperidin-4-ylphenyl)methyl]-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171903661
2-oxo-N-[phenyl-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171903659
N-[[3-(methylamino)phenyl]-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171903967
2-[[2-oxo-6-(trifluoromethyl)piperidine-3-carbonyl]amino]acetic acid
CID 119350377
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 112829490
(3S)-N-benzhydryl-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 38102948
2-(cyclopropylmethylamino)-N-[(4-fluorophenyl)-phenylmethyl]acetamide
CID 119716453
N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45016872
(2S)-N-benzhydrylpyrrolidine-2-carboxamide
CID 10663256
(3S,6R)-N-(4-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 39907738
N-benzhydrylpiperidine-4-carboxamide
CID 119263888

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[phenyl-[4-(2,2,2-trifluoroethyl)phenyl]methyl]-6-(trifluoromethyl)piperidine-3-carboxamide?
The IUPAC name of 2-oxo-N-[phenyl-[4-(2,2,2-trifluoroethyl)phenyl]methyl]-6-(trifluoromethyl)piperidine-3-carboxamide (CID 171903772) is 2-oxo-N-[phenyl-[4-(2,2,2-trifluoroethyl)phenyl]methyl]-6-(trifluoromethyl)piperidine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[phenyl-[4-(2,2,2-trifluoroethyl)phenyl]methyl]-6-(trifluoromethyl)piperidine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[phenyl-[4-(2,2,2-trifluoroethyl)phenyl]methyl]-6-(trifluoromethyl)piperidine-3-carboxamide is O=C(NC(c1ccccc1)c1ccc(CC(F)(F)F)cc1)C1CCC(C(F)(F)F)NC1=O.
What is the InChIKey of 2-oxo-N-[phenyl-[4-(2,2,2-trifluoroethyl)phenyl]methyl]-6-(trifluoromethyl)piperidine-3-carboxamide?
The InChIKey is PCUJPVJOWKALDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F6N2O2/c23-21(24,25)12-13-6-8-15(9-7-13)18(14-4-2-1-3-5-14)30-20(32)16-10-11-17(22(26,27)28)29-19(16)31/h1-9,16-18H,10-12H2,(H,29,31)(H,30,32).
What are the key properties of 2-oxo-N-[phenyl-[4-(2,2,2-trifluoroethyl)phenyl]methyl]-6-(trifluoromethyl)piperidine-3-carboxamide?
2-oxo-N-[phenyl-[4-(2,2,2-trifluoroethyl)phenyl]methyl]-6-(trifluoromethyl)piperidine-3-carboxamide has a molecular weight of 458.40 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[phenyl-[4-(2,2,2-trifluoroethyl)phenyl]methyl]-6-(trifluoromethyl)piperidine-3-carboxamide is sourced from PubChem (CID 171903772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).