2-oxo-N-[phenyl-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-6-(trifluoromethyl)piperidine-3-carboxamide

C25H26F3N3O2 — CID 171903659

IUPAC2-oxo-N-[phenyl-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc(C2=CCNCC2)cc1)C1CCC(C(F)(F)F)NC1=O
InChIInChI=1S/C25H26F3N3O2/c26-25(27,28)21-11-10-20(23(32)30-21)24(33)31-22(18-4-2-1-3-5-18)19-8-6-16(7-9-19)17-12-14-29-15-13-17/h1-9,12,20-22,29H,10-11,13-15H2,(H,30,32)(H,31,33)
InChIKeyLAUAJELUQWYVCQ-UHFFFAOYSA-N
MW457.50 g/mol
LogP3.73
Rot. Bonds5

About 2-oxo-N-[phenyl-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-6-(trifluoromethyl)piperidine-3-carboxamide

2-oxo-N-[phenyl-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-6-(trifluoromethyl)piperidine-3-carboxamide (PubChem CID 171903659) has the molecular formula C25H26F3N3O2 and a molecular weight of 457.50 g/mol. Its IUPAC name is 2-oxo-N-[phenyl-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-6-(trifluoromethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[phenyl-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-6-(trifluoromethyl)piperidine-3-carboxamide
PubChem CID171903659
Molecular FormulaC25H26F3N3O2
Molecular Weight457.50 g/mol
Exact Mass457.20
IUPAC Name2-oxo-N-[phenyl-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc(C2=CCNCC2)cc1)C1CCC(C(F)(F)F)NC1=O
InChIInChI=1S/C25H26F3N3O2/c26-25(27,28)21-11-10-20(23(32)30-21)24(33)31-22(18-4-2-1-3-5-18)19-8-6-16(7-9-19)17-12-14-29-15-13-17/h1-9,12,20-22,29H,10-11,13-15H2,(H,30,32)(H,31,33)
InChIKeyLAUAJELUQWYVCQ-UHFFFAOYSA-N
XLogP3.73
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.50
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(2,2,2-trifluoroethyl)phenyl]methyl]-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171903772
N-[[3-(methylamino)phenyl]-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171903967
N-[2-cyclohexyl-1-(4-methylphenyl)ethyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171903961
N-benzhydrylpiperidine-4-carboxamide
CID 119263888
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
(2S)-N-benzhydrylpyrrolidine-2-carboxamide
CID 10663256
(3S,6R)-N-(4-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 39907738
N-benzhydryl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 57256640
1-acetyl-5-methyl-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 165140067

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[phenyl-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-6-(trifluoromethyl)piperidine-3-carboxamide?
The IUPAC name of 2-oxo-N-[phenyl-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-6-(trifluoromethyl)piperidine-3-carboxamide (CID 171903659) is 2-oxo-N-[phenyl-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-6-(trifluoromethyl)piperidine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[phenyl-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-6-(trifluoromethyl)piperidine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[phenyl-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-6-(trifluoromethyl)piperidine-3-carboxamide is O=C(NC(c1ccccc1)c1ccc(C2=CCNCC2)cc1)C1CCC(C(F)(F)F)NC1=O.
What is the InChIKey of 2-oxo-N-[phenyl-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-6-(trifluoromethyl)piperidine-3-carboxamide?
The InChIKey is LAUAJELUQWYVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O2/c26-25(27,28)21-11-10-20(23(32)30-21)24(33)31-22(18-4-2-1-3-5-18)19-8-6-16(7-9-19)17-12-14-29-15-13-17/h1-9,12,20-22,29H,10-11,13-15H2,(H,30,32)(H,31,33).
What are the key properties of 2-oxo-N-[phenyl-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-6-(trifluoromethyl)piperidine-3-carboxamide?
2-oxo-N-[phenyl-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-6-(trifluoromethyl)piperidine-3-carboxamide has a molecular weight of 457.50 g/mol, XLogP of 3.73, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[phenyl-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-6-(trifluoromethyl)piperidine-3-carboxamide is sourced from PubChem (CID 171903659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).