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

C24H30FN3O3 — CID 153014166

IUPAC1-benzyl-5-[5-(4-fluoropiperidin-4-yl)pentanoyl]-N-methyl-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(C(=O)CCCCC2(F)CCNCC2)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C24H30FN3O3/c1-26-22(30)20-15-19(17-28(23(20)31)16-18-7-3-2-4-8-18)21(29)9-5-6-10-24(25)11-13-27-14-12-24/h2-4,7-8,15,17,27H,5-6,9-14,16H2,1H3,(H,26,30)
InChIKeyVAQISEKNHARFTN-UHFFFAOYSA-N
MW427.52 g/mol
LogP3.09
Rot. Bonds9

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

1-benzyl-5-[5-(4-fluoropiperidin-4-yl)pentanoyl]-N-methyl-2-oxopyridine-3-carboxamide (PubChem CID 153014166) has the molecular formula C24H30FN3O3 and a molecular weight of 427.52 g/mol. Its IUPAC name is 1-benzyl-5-[5-(4-fluoropiperidin-4-yl)pentanoyl]-N-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-[5-(4-fluoropiperidin-4-yl)pentanoyl]-N-methyl-2-oxopyridine-3-carboxamide
PubChem CID153014166
Molecular FormulaC24H30FN3O3
Molecular Weight427.52 g/mol
Exact Mass427.23
IUPAC Name1-benzyl-5-[5-(4-fluoropiperidin-4-yl)pentanoyl]-N-methyl-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(C(=O)CCCCC2(F)CCNCC2)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C24H30FN3O3/c1-26-22(30)20-15-19(17-28(23(20)31)16-18-7-3-2-4-8-18)21(29)9-5-6-10-24(25)11-13-27-14-12-24/h2-4,7-8,15,17,27H,5-6,9-14,16H2,1H3,(H,26,30)
InChIKeyVAQISEKNHARFTN-UHFFFAOYSA-N
XLogP3.09
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[5-(4-fluoropiperidin-4-yl)pentanoyl]-N-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-benzyl-5-[5-(4-fluoropiperidin-4-yl)pentanoyl]-N-methyl-2-oxopyridine-3-carboxamide (CID 153014166) is 1-benzyl-5-[5-(4-fluoropiperidin-4-yl)pentanoyl]-N-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-5-[5-(4-fluoropiperidin-4-yl)pentanoyl]-N-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-5-[5-(4-fluoropiperidin-4-yl)pentanoyl]-N-methyl-2-oxopyridine-3-carboxamide is CNC(=O)c1cc(C(=O)CCCCC2(F)CCNCC2)cn(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-5-[5-(4-fluoropiperidin-4-yl)pentanoyl]-N-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is VAQISEKNHARFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O3/c1-26-22(30)20-15-19(17-28(23(20)31)16-18-7-3-2-4-8-18)21(29)9-5-6-10-24(25)11-13-27-14-12-24/h2-4,7-8,15,17,27H,5-6,9-14,16H2,1H3,(H,26,30).
What are the key properties of 1-benzyl-5-[5-(4-fluoropiperidin-4-yl)pentanoyl]-N-methyl-2-oxopyridine-3-carboxamide?
1-benzyl-5-[5-(4-fluoropiperidin-4-yl)pentanoyl]-N-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 427.52 g/mol, XLogP of 3.09, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[5-(4-fluoropiperidin-4-yl)pentanoyl]-N-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 153014166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).