N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-(2-phenylacetyl)piperidine-3-carboxamide

C20H20F3N3O3 — CID 55794730

IUPACN-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)c[nH]c1=O)C1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C20H20F3N3O3/c21-20(22,23)15-10-16(19(29)24-11-15)25-18(28)14-7-4-8-26(12-14)17(27)9-13-5-2-1-3-6-13/h1-3,5-6,10-11,14H,4,7-9,12H2,(H,24,29)(H,25,28)
InChIKeyUZWVUANQOHFFFM-UHFFFAOYSA-N
MW407.39 g/mol
LogP2.81
Rot. Bonds4

About N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-(2-phenylacetyl)piperidine-3-carboxamide

N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-(2-phenylacetyl)piperidine-3-carboxamide (PubChem CID 55794730) has the molecular formula C20H20F3N3O3 and a molecular weight of 407.39 g/mol. Its IUPAC name is N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-(2-phenylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-(2-phenylacetyl)piperidine-3-carboxamide
PubChem CID55794730
Molecular FormulaC20H20F3N3O3
Molecular Weight407.39 g/mol
Exact Mass407.15
IUPAC NameN-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)c[nH]c1=O)C1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C20H20F3N3O3/c21-20(22,23)15-10-16(19(29)24-11-15)25-18(28)14-7-4-8-26(12-14)17(27)9-13-5-2-1-3-6-13/h1-3,5-6,10-11,14H,4,7-9,12H2,(H,24,29)(H,25,28)
InChIKeyUZWVUANQOHFFFM-UHFFFAOYSA-N
XLogP2.81
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(2-phenylacetyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94098690
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropanecarboxamide
CID 47137245
(3S)-N-(2,5-dimethylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 51937253
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 55794757
N-(4-chloro-2-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55604677
1-(2-phenylacetyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide
CID 119454204
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 46481378
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-3-carboxamide
CID 119399153
(3R)-1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxylic acid
CID 124699963
(3S)-1-[2-(4-fluorophenyl)acetyl]-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide
CID 94461778
N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55606343
3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclohexane-1-carboxamide
CID 75512208

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-(2-phenylacetyl)piperidine-3-carboxamide?
The IUPAC name of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-(2-phenylacetyl)piperidine-3-carboxamide (CID 55794730) is N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-(2-phenylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-(2-phenylacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-(2-phenylacetyl)piperidine-3-carboxamide is O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)C1CCCN(C(=O)Cc2ccccc2)C1.
What is the InChIKey of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-(2-phenylacetyl)piperidine-3-carboxamide?
The InChIKey is UZWVUANQOHFFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O3/c21-20(22,23)15-10-16(19(29)24-11-15)25-18(28)14-7-4-8-26(12-14)17(27)9-13-5-2-1-3-6-13/h1-3,5-6,10-11,14H,4,7-9,12H2,(H,24,29)(H,25,28).
What are the key properties of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-(2-phenylacetyl)piperidine-3-carboxamide?
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-(2-phenylacetyl)piperidine-3-carboxamide has a molecular weight of 407.39 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-(2-phenylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 55794730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).