N-(2,4-dimethoxyphenyl)-4-oxo-3-phenyl-5-(pyridin-2-ylmethylidene)piperidine-1-carboxamide

C26H25N3O4 — CID 90732886

IUPACN-(2,4-dimethoxyphenyl)-4-oxo-3-phenyl-5-(pyridin-2-ylmethylidene)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CC(=Cc3ccccn3)C(=O)C(c3ccccc3)C2)c(OC)c1
InChIInChI=1S/C26H25N3O4/c1-32-21-11-12-23(24(15-21)33-2)28-26(31)29-16-19(14-20-10-6-7-13-27-20)25(30)22(17-29)18-8-4-3-5-9-18/h3-15,22H,16-17H2,1-2H3,(H,28,31)
InChIKeyJOTHWQWTJFJZQS-UHFFFAOYSA-N
MW443.50 g/mol
LogP4.38
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-4-oxo-3-phenyl-5-(pyridin-2-ylmethylidene)piperidine-1-carboxamide

N-(2,4-dimethoxyphenyl)-4-oxo-3-phenyl-5-(pyridin-2-ylmethylidene)piperidine-1-carboxamide (PubChem CID 90732886) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4-oxo-3-phenyl-5-(pyridin-2-ylmethylidene)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4-oxo-3-phenyl-5-(pyridin-2-ylmethylidene)piperidine-1-carboxamide
PubChem CID90732886
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC NameN-(2,4-dimethoxyphenyl)-4-oxo-3-phenyl-5-(pyridin-2-ylmethylidene)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CC(=Cc3ccccn3)C(=O)C(c3ccccc3)C2)c(OC)c1
InChIInChI=1S/C26H25N3O4/c1-32-21-11-12-23(24(15-21)33-2)28-26(31)29-16-19(14-20-10-6-7-13-27-20)25(30)22(17-29)18-8-4-3-5-9-18/h3-15,22H,16-17H2,1-2H3,(H,28,31)
InChIKeyJOTHWQWTJFJZQS-UHFFFAOYSA-N
XLogP4.38
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dimethoxyphenyl)-3-pyridin-2-yloxyazetidine-1-carboxamide
CID 122247300
3-[(3-chloro-2-pyridinyl)oxy]-N-(2,4-dimethoxyphenyl)azetidine-1-carboxamide
CID 122248095
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethoxyphenyl)azetidine-1-carboxamide
CID 121153630
N-(2,4-dimethoxyphenyl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121195642
N-(2,4-dimethoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 108990292
(3S)-N-(2,4-dimethoxyphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 125130524
N-(2,4-dimethoxyphenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 6464385
2-[1-[(2,4-dimethoxyphenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 91913977
N-(2,4-dimethoxyphenyl)-4-(2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56921278
1-N-benzyl-3-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-1,3-dicarboxamide
CID 42868538
N-(2,4-dimethoxyphenyl)-3-(2,5-dioxoimidazolidin-1-yl)pyrrolidine-1-carboxamide
CID 121160046
4-benzyl-N-(2,4-dimethoxyphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 42415106

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-4-oxo-3-phenyl-5-(pyridin-2-ylmethylidene)piperidine-1-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4-oxo-3-phenyl-5-(pyridin-2-ylmethylidene)piperidine-1-carboxamide (CID 90732886) is N-(2,4-dimethoxyphenyl)-4-oxo-3-phenyl-5-(pyridin-2-ylmethylidene)piperidine-1-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4-oxo-3-phenyl-5-(pyridin-2-ylmethylidene)piperidine-1-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4-oxo-3-phenyl-5-(pyridin-2-ylmethylidene)piperidine-1-carboxamide is COc1ccc(NC(=O)N2CC(=Cc3ccccn3)C(=O)C(c3ccccc3)C2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4-oxo-3-phenyl-5-(pyridin-2-ylmethylidene)piperidine-1-carboxamide?
The InChIKey is JOTHWQWTJFJZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-32-21-11-12-23(24(15-21)33-2)28-26(31)29-16-19(14-20-10-6-7-13-27-20)25(30)22(17-29)18-8-4-3-5-9-18/h3-15,22H,16-17H2,1-2H3,(H,28,31).
What are the key properties of N-(2,4-dimethoxyphenyl)-4-oxo-3-phenyl-5-(pyridin-2-ylmethylidene)piperidine-1-carboxamide?
N-(2,4-dimethoxyphenyl)-4-oxo-3-phenyl-5-(pyridin-2-ylmethylidene)piperidine-1-carboxamide has a molecular weight of 443.50 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-4-oxo-3-phenyl-5-(pyridin-2-ylmethylidene)piperidine-1-carboxamide is sourced from PubChem (CID 90732886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).