1-[3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanoyl]-N-(1-phenylethyl)piperidine-4-carboxamide

C28H28FN3O4 — CID 3979678

IUPAC1-[3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanoyl]-N-(1-phenylethyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C(=O)C(C(=O)c2ccc(F)cc2)n2ccccc2=O)CC1)c1ccccc1
InChIInChI=1S/C28H28FN3O4/c1-19(20-7-3-2-4-8-20)30-27(35)22-14-17-31(18-15-22)28(36)25(32-16-6-5-9-24(32)33)26(34)21-10-12-23(29)13-11-21/h2-13,16,19,22,25H,14-15,17-18H2,1H3,(H,30,35)
InChIKeyFFXWXIYWLHENLA-UHFFFAOYSA-N
MW489.55 g/mol
LogP3.53
Rot. Bonds7

About 1-[3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanoyl]-N-(1-phenylethyl)piperidine-4-carboxamide

1-[3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanoyl]-N-(1-phenylethyl)piperidine-4-carboxamide (PubChem CID 3979678) has the molecular formula C28H28FN3O4 and a molecular weight of 489.55 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanoyl]-N-(1-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanoyl]-N-(1-phenylethyl)piperidine-4-carboxamide
PubChem CID3979678
Molecular FormulaC28H28FN3O4
Molecular Weight489.55 g/mol
Exact Mass489.21
IUPAC Name1-[3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanoyl]-N-(1-phenylethyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C(=O)C(C(=O)c2ccc(F)cc2)n2ccccc2=O)CC1)c1ccccc1
InChIInChI=1S/C28H28FN3O4/c1-19(20-7-3-2-4-8-20)30-27(35)22-14-17-31(18-15-22)28(36)25(32-16-6-5-9-24(32)33)26(34)21-10-12-23(29)13-11-21/h2-13,16,19,22,25H,14-15,17-18H2,1H3,(H,30,35)
InChIKeyFFXWXIYWLHENLA-UHFFFAOYSA-N
XLogP3.53
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.55
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanoyl]-N-(1-phenylethyl)piperidine-4-carboxamide with MolForge

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Related Compounds

N-(3-methylbutyl)-1-[3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanoyl]piperidine-4-carboxamide
CID 51362499
1-(2-methylpropanoyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004076
(2R)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(2-oxo-1-pyridinyl)-3-phenylpropane-1,3-dione
CID 41165207
1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(2-oxo-1-pyridinyl)-3-phenylpropane-1,3-dione
CID 4204004
1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(2-oxo-1-pyridinyl)-3-phenylpropane-1,3-dione
CID 3437654
1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 94024263
1-(4-methylbenzoyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004083
1-(4-chlorobenzoyl)-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 1326341
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
N-tert-butyl-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide
CID 5149295
1-(4-fluorobenzoyl)-N-[1-(4-sulfamoylphenyl)ethyl]piperidine-4-carboxamide
CID 4884408
1-(2-phenylacetyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004094

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanoyl]-N-(1-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanoyl]-N-(1-phenylethyl)piperidine-4-carboxamide (CID 3979678) is 1-[3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanoyl]-N-(1-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanoyl]-N-(1-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanoyl]-N-(1-phenylethyl)piperidine-4-carboxamide is CC(NC(=O)C1CCN(C(=O)C(C(=O)c2ccc(F)cc2)n2ccccc2=O)CC1)c1ccccc1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanoyl]-N-(1-phenylethyl)piperidine-4-carboxamide?
The InChIKey is FFXWXIYWLHENLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN3O4/c1-19(20-7-3-2-4-8-20)30-27(35)22-14-17-31(18-15-22)28(36)25(32-16-6-5-9-24(32)33)26(34)21-10-12-23(29)13-11-21/h2-13,16,19,22,25H,14-15,17-18H2,1H3,(H,30,35).
What are the key properties of 1-[3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanoyl]-N-(1-phenylethyl)piperidine-4-carboxamide?
1-[3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanoyl]-N-(1-phenylethyl)piperidine-4-carboxamide has a molecular weight of 489.55 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanoyl]-N-(1-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 3979678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).