5-[5-(1-acetylpiperidin-4-yl)pentanoyl]-1-benzyl-N-methyl-2-oxopyridine-3-carboxamide

C26H33N3O4 — CID 148828457

IUPAC5-[5-(1-acetylpiperidin-4-yl)pentanoyl]-1-benzyl-N-methyl-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(C(=O)CCCCC2CCN(C(C)=O)CC2)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C26H33N3O4/c1-19(30)28-14-12-20(13-15-28)8-6-7-11-24(31)22-16-23(25(32)27-2)26(33)29(18-22)17-21-9-4-3-5-10-21/h3-5,9-10,16,18,20H,6-8,11-15,17H2,1-2H3,(H,27,32)
InChIKeyOTEWGFYXHYTUEL-UHFFFAOYSA-N
MW451.57 g/mol
LogP3.26
Rot. Bonds9

About 5-[5-(1-acetylpiperidin-4-yl)pentanoyl]-1-benzyl-N-methyl-2-oxopyridine-3-carboxamide

5-[5-(1-acetylpiperidin-4-yl)pentanoyl]-1-benzyl-N-methyl-2-oxopyridine-3-carboxamide (PubChem CID 148828457) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is 5-[5-(1-acetylpiperidin-4-yl)pentanoyl]-1-benzyl-N-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-[5-(1-acetylpiperidin-4-yl)pentanoyl]-1-benzyl-N-methyl-2-oxopyridine-3-carboxamide
PubChem CID148828457
Molecular FormulaC26H33N3O4
Molecular Weight451.57 g/mol
Exact Mass451.25
IUPAC Name5-[5-(1-acetylpiperidin-4-yl)pentanoyl]-1-benzyl-N-methyl-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(C(=O)CCCCC2CCN(C(C)=O)CC2)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C26H33N3O4/c1-19(30)28-14-12-20(13-15-28)8-6-7-11-24(31)22-16-23(25(32)27-2)26(33)29(18-22)17-21-9-4-3-5-10-21/h3-5,9-10,16,18,20H,6-8,11-15,17H2,1-2H3,(H,27,32)
InChIKeyOTEWGFYXHYTUEL-UHFFFAOYSA-N
XLogP3.26
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-N-methyl-5-[4-(1-methylpiperidin-4-yl)butanoyl]-2-oxopyridine-3-carboxamide
CID 159534697
5-[1-[3-(1-acetylpiperidin-4-yl)propylamino]ethenyl]-1-benzyl-N-methyl-2-oxopyridine-3-carboxamide
CID 145279448
1-benzyl-N-methyl-2-oxo-5-[4-(oxolan-3-yl)butanoyl]pyridine-3-carboxamide
CID 157088108
1-benzyl-N-methyl-5-[3-(oxan-4-yl)propanoyl]-2-oxopyridine-3-carboxamide
CID 160654627
tert-butyl 4-[5-[1-[(2-fluorophenyl)methyl]-5-(methylcarbamoyl)-6-oxo-3-pyridinyl]-5-oxopentyl]piperidine-1-carboxylate
CID 146732787
N-methyl-1-[(3-methylphenyl)methyl]-2-oxo-5-(5-piperidin-4-ylpentanoyl)pyridine-3-carboxamide
CID 158142498
1-benzyl-3-N-methyl-5-N-[3-(1-methylpiperidin-4-yl)propyl]-2-oxopyridine-3,5-dicarboxamide
CID 126721311
5-(4-cyclopropylbutanoyl)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 160649778
1-benzyl-5-N-[3-[1-(2-fluoroethyl)piperidin-4-yl]propyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126739590
4-[3-[[1-[(2-fluorophenyl)methyl]-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propyl]piperidine-1-carboxylic acid
CID 126721258
5-[4-(4-aminocyclohexyl)butanoyl]-1-benzyl-3-propanoylpyridin-2-one;hydrochloride
CID 159507544
1-(1H-indol-4-ylmethyl)-N-methyl-2-oxo-5-(5-piperidin-4-ylpentanoyl)pyridine-3-carboxamide
CID 161110422

Frequently Asked Questions

What is the IUPAC name of 5-[5-(1-acetylpiperidin-4-yl)pentanoyl]-1-benzyl-N-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 5-[5-(1-acetylpiperidin-4-yl)pentanoyl]-1-benzyl-N-methyl-2-oxopyridine-3-carboxamide (CID 148828457) is 5-[5-(1-acetylpiperidin-4-yl)pentanoyl]-1-benzyl-N-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-[5-(1-acetylpiperidin-4-yl)pentanoyl]-1-benzyl-N-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 5-[5-(1-acetylpiperidin-4-yl)pentanoyl]-1-benzyl-N-methyl-2-oxopyridine-3-carboxamide is CNC(=O)c1cc(C(=O)CCCCC2CCN(C(C)=O)CC2)cn(Cc2ccccc2)c1=O.
What is the InChIKey of 5-[5-(1-acetylpiperidin-4-yl)pentanoyl]-1-benzyl-N-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is OTEWGFYXHYTUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4/c1-19(30)28-14-12-20(13-15-28)8-6-7-11-24(31)22-16-23(25(32)27-2)26(33)29(18-22)17-21-9-4-3-5-10-21/h3-5,9-10,16,18,20H,6-8,11-15,17H2,1-2H3,(H,27,32).
What are the key properties of 5-[5-(1-acetylpiperidin-4-yl)pentanoyl]-1-benzyl-N-methyl-2-oxopyridine-3-carboxamide?
5-[5-(1-acetylpiperidin-4-yl)pentanoyl]-1-benzyl-N-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 451.57 g/mol, XLogP of 3.26, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(1-acetylpiperidin-4-yl)pentanoyl]-1-benzyl-N-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 148828457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).