1-(4-iodophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;5-morpholin-4-yl-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-6-one;piperidin-2-one

C40H51IN6O6 — CID 158323736

IUPAC1-(4-iodophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;5-morpholin-4-yl-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-6-one;piperidin-2-one
SMILESO=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1.O=C1CCCCN1.O=C1CCCCN1c1ccc(N2CCC=C(N3CCOCC3)C2=O)cc1
InChIInChI=1S/C20H25N3O3.C15H17IN2O2.C5H9NO/c24-19-5-1-2-10-22(19)16-6-8-17(9-7-16)23-11-3-4-18(20(23)25)21-12-14-26-15-13-21;16-12-3-5-13(6-4-12)18-7-1-2-14(15(18)19)17-8-10-20-11-9-17;7-5-3-1-2-4-6-5/h4,6-9H,1-3,5,10-15H2;2-6H,1,7-11H2;1-4H2,(H,6,7)
InChIKeyGPDRBAQFDQPVJH-UHFFFAOYSA-N
MW838.79 g/mol
LogP4.69
Rot. Bonds5

About 1-(4-iodophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;5-morpholin-4-yl-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-6-one;piperidin-2-one

1-(4-iodophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;5-morpholin-4-yl-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-6-one;piperidin-2-one (PubChem CID 158323736) has the molecular formula C40H51IN6O6 and a molecular weight of 838.79 g/mol. Its IUPAC name is 1-(4-iodophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;5-morpholin-4-yl-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-6-one;piperidin-2-one.

Molecular Properties

Compound Name1-(4-iodophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;5-morpholin-4-yl-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-6-one;piperidin-2-one
PubChem CID158323736
Molecular FormulaC40H51IN6O6
Molecular Weight838.79 g/mol
Exact Mass838.29
IUPAC Name1-(4-iodophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;5-morpholin-4-yl-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-6-one;piperidin-2-one
SMILESO=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1.O=C1CCCCN1.O=C1CCCCN1c1ccc(N2CCC=C(N3CCOCC3)C2=O)cc1
InChIInChI=1S/C20H25N3O3.C15H17IN2O2.C5H9NO/c24-19-5-1-2-10-22(19)16-6-8-17(9-7-16)23-11-3-4-18(20(23)25)21-12-14-26-15-13-21;16-12-3-5-13(6-4-12)18-7-1-2-14(15(18)19)17-8-10-20-11-9-17;7-5-3-1-2-4-6-5/h4,6-9H,1-3,5,10-15H2;2-6H,1,7-11H2;1-4H2,(H,6,7)
InChIKeyGPDRBAQFDQPVJH-UHFFFAOYSA-N
XLogP4.69
TPSA114.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500838.79
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-5-morpholin-4-yl-2,3-dihydropyridin-6-one
CID 118086872
1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 102501069
1-(4-aminophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;heptan-2-one;N-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]hexanamide;5-morpholin-4-yl-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-6-one
CID 159744474
1-(4-aminophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;ethane;hydroxy-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]azanium
CID 145234696
2-[[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169341997
1-[4-(1,4-diazepan-1-yl)phenyl]piperidin-2-one
CID 125487296
1-(4-piperazin-1-ylphenyl)pyrrolidin-2-one
CID 82513628
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-(4-aminophenyl)piperidin-2-one
CID 11458178
4-(4-iodophenyl)-1,4-oxazepane
CID 121246914
N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-4-(2-oxopiperidin-1-yl)benzamide
CID 52509087
N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-4-(2-oxopiperidin-1-yl)benzamide
CID 52509086

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;5-morpholin-4-yl-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-6-one;piperidin-2-one?
The IUPAC name of 1-(4-iodophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;5-morpholin-4-yl-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-6-one;piperidin-2-one (CID 158323736) is 1-(4-iodophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;5-morpholin-4-yl-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-6-one;piperidin-2-one.
What is the SMILES notation for 1-(4-iodophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;5-morpholin-4-yl-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-6-one;piperidin-2-one?
The canonical SMILES for 1-(4-iodophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;5-morpholin-4-yl-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-6-one;piperidin-2-one is O=C1C(N2CCOCC2)=CCCN1c1ccc(I)cc1.O=C1CCCCN1.O=C1CCCCN1c1ccc(N2CCC=C(N3CCOCC3)C2=O)cc1.
What is the InChIKey of 1-(4-iodophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;5-morpholin-4-yl-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-6-one;piperidin-2-one?
The InChIKey is GPDRBAQFDQPVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3.C15H17IN2O2.C5H9NO/c24-19-5-1-2-10-22(19)16-6-8-17(9-7-16)23-11-3-4-18(20(23)25)21-12-14-26-15-13-21;16-12-3-5-13(6-4-12)18-7-1-2-14(15(18)19)17-8-10-20-11-9-17;7-5-3-1-2-4-6-5/h4,6-9H,1-3,5,10-15H2;2-6H,1,7-11H2;1-4H2,(H,6,7).
What are the key properties of 1-(4-iodophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;5-morpholin-4-yl-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-6-one;piperidin-2-one?
1-(4-iodophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;5-morpholin-4-yl-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-6-one;piperidin-2-one has a molecular weight of 838.79 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;5-morpholin-4-yl-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-6-one;piperidin-2-one is sourced from PubChem (CID 158323736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).