N-(4-fluorophenyl)-2,4-dioxo-6-phenylpiperidine-3-carboxamide

C18H15FN2O3 — CID 91538570

IUPACN-(4-fluorophenyl)-2,4-dioxo-6-phenylpiperidine-3-carboxamide
SMILESO=C1CC(c2ccccc2)NC(=O)C1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H15FN2O3/c19-12-6-8-13(9-7-12)20-17(23)16-15(22)10-14(21-18(16)24)11-4-2-1-3-5-11/h1-9,14,16H,10H2,(H,20,23)(H,21,24)
InChIKeyNNZFNZNNUMZKDF-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.21
Rot. Bonds3

About N-(4-fluorophenyl)-2,4-dioxo-6-phenylpiperidine-3-carboxamide

N-(4-fluorophenyl)-2,4-dioxo-6-phenylpiperidine-3-carboxamide (PubChem CID 91538570) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2,4-dioxo-6-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2,4-dioxo-6-phenylpiperidine-3-carboxamide
PubChem CID91538570
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC NameN-(4-fluorophenyl)-2,4-dioxo-6-phenylpiperidine-3-carboxamide
SMILESO=C1CC(c2ccccc2)NC(=O)C1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H15FN2O3/c19-12-6-8-13(9-7-12)20-17(23)16-15(22)10-14(21-18(16)24)11-4-2-1-3-5-11/h1-9,14,16H,10H2,(H,20,23)(H,21,24)
InChIKeyNNZFNZNNUMZKDF-UHFFFAOYSA-N
XLogP2.21
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-cyclohexyloxyphenyl)-2,4-dioxo-6-phenylpiperidine-3-carboxamide
CID 90897047
4-N-(4-fluorophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150302
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
N-(4-fluorophenyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxamide
CID 110689144
N-(4-methoxyphenyl)-2-oxo-5-phenylpyrrolidine-3-carboxamide
CID 168869833
2,5-dioxo-N-phenylcyclopentane-1-carboxamide
CID 75388196
1-(2-fluorophenyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 17152616
N-(4-fluorophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
CID 110690445
(4R)-2-(4-fluoroanilino)-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 6579586
(1S)-N-(4-fluorophenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 7432802
(4S)-N-(4-fluorophenyl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 175520739
(1R)-N-(4-fluorophenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 7432800

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2,4-dioxo-6-phenylpiperidine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2,4-dioxo-6-phenylpiperidine-3-carboxamide (CID 91538570) is N-(4-fluorophenyl)-2,4-dioxo-6-phenylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2,4-dioxo-6-phenylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2,4-dioxo-6-phenylpiperidine-3-carboxamide is O=C1CC(c2ccccc2)NC(=O)C1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2,4-dioxo-6-phenylpiperidine-3-carboxamide?
The InChIKey is NNZFNZNNUMZKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c19-12-6-8-13(9-7-12)20-17(23)16-15(22)10-14(21-18(16)24)11-4-2-1-3-5-11/h1-9,14,16H,10H2,(H,20,23)(H,21,24).
What are the key properties of N-(4-fluorophenyl)-2,4-dioxo-6-phenylpiperidine-3-carboxamide?
N-(4-fluorophenyl)-2,4-dioxo-6-phenylpiperidine-3-carboxamide has a molecular weight of 326.33 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2,4-dioxo-6-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 91538570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).