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

C25H23N3O2 — CID 68726924

IUPACN-(4-methylphenyl)-4-oxo-3-phenyl-5-(pyridin-2-ylmethylidene)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CC(=Cc3ccccn3)C(=O)C(c3ccccc3)C2)cc1
InChIInChI=1S/C25H23N3O2/c1-18-10-12-21(13-11-18)27-25(30)28-16-20(15-22-9-5-6-14-26-22)24(29)23(17-28)19-7-3-2-4-8-19/h2-15,23H,16-17H2,1H3,(H,27,30)
InChIKeyOLPWVBNWUCLRQJ-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.67
Rot. Bonds3

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

N-(4-methylphenyl)-4-oxo-3-phenyl-5-(pyridin-2-ylmethylidene)piperidine-1-carboxamide (PubChem CID 68726924) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-oxo-3-phenyl-5-(pyridin-2-ylmethylidene)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-oxo-3-phenyl-5-(pyridin-2-ylmethylidene)piperidine-1-carboxamide
PubChem CID68726924
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN-(4-methylphenyl)-4-oxo-3-phenyl-5-(pyridin-2-ylmethylidene)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CC(=Cc3ccccn3)C(=O)C(c3ccccc3)C2)cc1
InChIInChI=1S/C25H23N3O2/c1-18-10-12-21(13-11-18)27-25(30)28-16-20(15-22-9-5-6-14-26-22)24(29)23(17-28)19-7-3-2-4-8-19/h2-15,23H,16-17H2,1H3,(H,27,30)
InChIKeyOLPWVBNWUCLRQJ-UHFFFAOYSA-N
XLogP4.67
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethoxyphenyl)-4-oxo-3-phenyl-5-(pyridin-2-ylmethylidene)piperidine-1-carboxamide
CID 90732886
3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-4-oxo-N,5-diphenylpiperidine-1-carboxamide
CID 68726703
4-[5-[[4-(pyridin-2-ylmethylidene)piperidine-1-carbonyl]amino]pyrimidin-2-yl]benzoic acid
CID 66692394
N-(4-fluorophenyl)-3,3-dimethyl-2-(4-methylsulfonylphenyl)-4-oxo-5-(pyridin-2-ylmethylidene)piperidine-1-carboxamide
CID 91591883
N-(4-methylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184500
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
N-(4-methylphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide
CID 122257519
1-N-(4-methylphenyl)-4-(pyridine-2-carbonyl)-3-N-(pyridin-2-ylmethyl)piperazine-1,3-dicarboxamide
CID 134085273
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
4-methyl-N-(4-methylphenyl)-2-phenylpiperazine-1-carboxamide
CID 24612409
N-(4-methyl-1,3-thiazol-2-yl)-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide
CID 158437458
3-[(3-cyano-2-pyridinyl)oxy]-N-(4-methylphenyl)azetidine-1-carboxamide
CID 122249279

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-oxo-3-phenyl-5-(pyridin-2-ylmethylidene)piperidine-1-carboxamide?
The IUPAC name of N-(4-methylphenyl)-4-oxo-3-phenyl-5-(pyridin-2-ylmethylidene)piperidine-1-carboxamide (CID 68726924) is N-(4-methylphenyl)-4-oxo-3-phenyl-5-(pyridin-2-ylmethylidene)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-4-oxo-3-phenyl-5-(pyridin-2-ylmethylidene)piperidine-1-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-4-oxo-3-phenyl-5-(pyridin-2-ylmethylidene)piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CC(=Cc3ccccn3)C(=O)C(c3ccccc3)C2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-oxo-3-phenyl-5-(pyridin-2-ylmethylidene)piperidine-1-carboxamide?
The InChIKey is OLPWVBNWUCLRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-18-10-12-21(13-11-18)27-25(30)28-16-20(15-22-9-5-6-14-26-22)24(29)23(17-28)19-7-3-2-4-8-19/h2-15,23H,16-17H2,1H3,(H,27,30).
What are the key properties of N-(4-methylphenyl)-4-oxo-3-phenyl-5-(pyridin-2-ylmethylidene)piperidine-1-carboxamide?
N-(4-methylphenyl)-4-oxo-3-phenyl-5-(pyridin-2-ylmethylidene)piperidine-1-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-oxo-3-phenyl-5-(pyridin-2-ylmethylidene)piperidine-1-carboxamide is sourced from PubChem (CID 68726924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).