4-(4-fluorophenyl)-3-pent-2-enyl-4-phenylmethoxypiperidin-2-one

C23H26FNO2 — CID 90793690

IUPAC4-(4-fluorophenyl)-3-pent-2-enyl-4-phenylmethoxypiperidin-2-one
SMILESCCC=CCC1C(=O)NCCC1(OCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C23H26FNO2/c1-2-3-5-10-21-22(26)25-16-15-23(21,19-11-13-20(24)14-12-19)27-17-18-8-6-4-7-9-18/h3-9,11-14,21H,2,10,15-17H2,1H3,(H,25,26)
InChIKeyNLEKVLUJFKSKQB-UHFFFAOYSA-N
MW367.46 g/mol
LogP4.73
Rot. Bonds7

About 4-(4-fluorophenyl)-3-pent-2-enyl-4-phenylmethoxypiperidin-2-one

4-(4-fluorophenyl)-3-pent-2-enyl-4-phenylmethoxypiperidin-2-one (PubChem CID 90793690) has the molecular formula C23H26FNO2 and a molecular weight of 367.46 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-pent-2-enyl-4-phenylmethoxypiperidin-2-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-pent-2-enyl-4-phenylmethoxypiperidin-2-one
PubChem CID90793690
Molecular FormulaC23H26FNO2
Molecular Weight367.46 g/mol
Exact Mass367.19
IUPAC Name4-(4-fluorophenyl)-3-pent-2-enyl-4-phenylmethoxypiperidin-2-one
SMILESCCC=CCC1C(=O)NCCC1(OCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C23H26FNO2/c1-2-3-5-10-21-22(26)25-16-15-23(21,19-11-13-20(24)14-12-19)27-17-18-8-6-4-7-9-18/h3-9,11-14,21H,2,10,15-17H2,1H3,(H,25,26)
InChIKeyNLEKVLUJFKSKQB-UHFFFAOYSA-N
XLogP4.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(Benzyloxy)ethyl]-2,2-diphenylacetamide
CID 597400
(5S,6S)-5-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-6-(4-fluorophenyl)azepan-2-one
CID 44412207
(4R,5S)-5-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)azepan-2-one
CID 44412225
(3R,5S,6S)-5-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-6-(4-fluorophenyl)-3-methylazepan-2-one
CID 44412445
(4R,5S,7R)-5-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)-7-methylazepan-2-one
CID 44412493
N-[2-(benzyloxy)ethyl]-3,3-diphenylpropanamide
CID 6456612
4-[[3,5-Bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidin-2-one
CID 71583092
1-(4-((Benzyloxy)methyl)piperidin-1-yl)-2-(4-fluorophenyl)ethanone
CID 49677786
N-benzyl-4-ethenyl-2-(4-fluorophenyl)-2,5-dihydrofuran-3-carboxamide
CID 57328407
4-ethenyl-2-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-2,5-dihydrofuran-3-carboxamide
CID 57328485
4-ethenyl-2-(4-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-2,5-dihydrofuran-3-carboxamide
CID 57328486
4-ethenyl-2-(4-fluorophenyl)-N-[2-(3-fluorophenyl)ethyl]-2,5-dihydrofuran-3-carboxamide
CID 57328487

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-pent-2-enyl-4-phenylmethoxypiperidin-2-one?
The IUPAC name of 4-(4-fluorophenyl)-3-pent-2-enyl-4-phenylmethoxypiperidin-2-one (CID 90793690) is 4-(4-fluorophenyl)-3-pent-2-enyl-4-phenylmethoxypiperidin-2-one.
What is the SMILES notation for 4-(4-fluorophenyl)-3-pent-2-enyl-4-phenylmethoxypiperidin-2-one?
The canonical SMILES for 4-(4-fluorophenyl)-3-pent-2-enyl-4-phenylmethoxypiperidin-2-one is CCC=CCC1C(=O)NCCC1(OCc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-3-pent-2-enyl-4-phenylmethoxypiperidin-2-one?
The InChIKey is NLEKVLUJFKSKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNO2/c1-2-3-5-10-21-22(26)25-16-15-23(21,19-11-13-20(24)14-12-19)27-17-18-8-6-4-7-9-18/h3-9,11-14,21H,2,10,15-17H2,1H3,(H,25,26).
What are the key properties of 4-(4-fluorophenyl)-3-pent-2-enyl-4-phenylmethoxypiperidin-2-one?
4-(4-fluorophenyl)-3-pent-2-enyl-4-phenylmethoxypiperidin-2-one has a molecular weight of 367.46 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-pent-2-enyl-4-phenylmethoxypiperidin-2-one is sourced from PubChem (CID 90793690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).