2-(5-bromo-2-oxo-1-pyridinyl)-1-(4-bromophenyl)-3-piperidin-1-ylpropane-1,3-dione

C19H18Br2N2O3 — CID 5045047

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-1-(4-bromophenyl)-3-piperidin-1-ylpropane-1,3-dione
SMILESO=C(c1ccc(Br)cc1)C(C(=O)N1CCCCC1)n1cc(Br)ccc1=O
InChIInChI=1S/C19H18Br2N2O3/c20-14-6-4-13(5-7-14)18(25)17(19(26)22-10-2-1-3-11-22)23-12-15(21)8-9-16(23)24/h4-9,12,17H,1-3,10-11H2
InChIKeySUWIJHLPNHTING-UHFFFAOYSA-N
MW482.17 g/mol
LogP3.81
Rot. Bonds4

About 2-(5-bromo-2-oxo-1-pyridinyl)-1-(4-bromophenyl)-3-piperidin-1-ylpropane-1,3-dione

2-(5-bromo-2-oxo-1-pyridinyl)-1-(4-bromophenyl)-3-piperidin-1-ylpropane-1,3-dione (PubChem CID 5045047) has the molecular formula C19H18Br2N2O3 and a molecular weight of 482.17 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)-1-(4-bromophenyl)-3-piperidin-1-ylpropane-1,3-dione.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-1-(4-bromophenyl)-3-piperidin-1-ylpropane-1,3-dione
PubChem CID5045047
Molecular FormulaC19H18Br2N2O3
Molecular Weight482.17 g/mol
Exact Mass479.97
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-1-(4-bromophenyl)-3-piperidin-1-ylpropane-1,3-dione
SMILESO=C(c1ccc(Br)cc1)C(C(=O)N1CCCCC1)n1cc(Br)ccc1=O
InChIInChI=1S/C19H18Br2N2O3/c20-14-6-4-13(5-7-14)18(25)17(19(26)22-10-2-1-3-11-22)23-12-15(21)8-9-16(23)24/h4-9,12,17H,1-3,10-11H2
InChIKeySUWIJHLPNHTING-UHFFFAOYSA-N
XLogP3.81
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.17
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(5-bromo-2-oxo-1-pyridinyl)-1-(4-bromophenyl)-3-piperidin-1-ylpropane-1,3-dione with MolForge

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Related Compounds

1-(azepan-1-yl)-2-(5-chloro-2-oxo-1-pyridinyl)-3-(4-fluorophenyl)propane-1,3-dione
CID 3970669
(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-1-(4-fluorophenyl)-3-piperidin-1-ylpropane-1,3-dione
CID 7317693
2-(5-chloro-2-oxo-1-pyridinyl)-1-phenyl-3-piperidin-1-ylpropane-1,3-dione
CID 3519572
1-(4-benzylpiperazin-1-yl)-2-(5-bromo-2-oxo-1-pyridinyl)-3-(4-nitrophenyl)propane-1,3-dione
CID 3652417
2-(5-chloro-2-oxo-1-pyridinyl)-1-(4-fluorophenyl)-3-[4-(piperidine-1-carbonyl)piperidin-1-yl]propane-1,3-dione
CID 3631498
1-(4-benzylpiperidin-1-yl)-2-(5-bromo-2-oxo-1-pyridinyl)-3-(4-nitrophenyl)propane-1,3-dione
CID 5044347
4-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 51147959
1-(3-nitrophenyl)-2-(2-oxo-1-pyridinyl)-3-piperidin-1-ylpropane-1,3-dione
CID 3160489
N-benzyl-2-(5-bromo-2-oxo-1-pyridinyl)-3-(4-bromophenyl)-N-butyl-3-oxopropanamide
CID 3616676
1-(4-fluorophenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-(5-methyl-2-oxo-1-pyridinyl)propane-1,3-dione
CID 4272991
(2R)-1-(4-benzylpiperidin-1-yl)-3-(4-fluorophenyl)-2-(5-methyl-2-oxo-1-pyridinyl)propane-1,3-dione
CID 30884834
5-(4-bromophenyl)-2,3-dimethyl-1-pyrrolidin-1-ylpentane-1,5-dione
CID 10315982

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-1-(4-bromophenyl)-3-piperidin-1-ylpropane-1,3-dione?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-1-(4-bromophenyl)-3-piperidin-1-ylpropane-1,3-dione (CID 5045047) is 2-(5-bromo-2-oxo-1-pyridinyl)-1-(4-bromophenyl)-3-piperidin-1-ylpropane-1,3-dione.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-1-(4-bromophenyl)-3-piperidin-1-ylpropane-1,3-dione?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-1-(4-bromophenyl)-3-piperidin-1-ylpropane-1,3-dione is O=C(c1ccc(Br)cc1)C(C(=O)N1CCCCC1)n1cc(Br)ccc1=O.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-1-(4-bromophenyl)-3-piperidin-1-ylpropane-1,3-dione?
The InChIKey is SUWIJHLPNHTING-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Br2N2O3/c20-14-6-4-13(5-7-14)18(25)17(19(26)22-10-2-1-3-11-22)23-12-15(21)8-9-16(23)24/h4-9,12,17H,1-3,10-11H2.
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-1-(4-bromophenyl)-3-piperidin-1-ylpropane-1,3-dione?
2-(5-bromo-2-oxo-1-pyridinyl)-1-(4-bromophenyl)-3-piperidin-1-ylpropane-1,3-dione has a molecular weight of 482.17 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-oxo-1-pyridinyl)-1-(4-bromophenyl)-3-piperidin-1-ylpropane-1,3-dione is sourced from PubChem (CID 5045047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).