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

C26H34FN3O3 — CID 147664755

IUPAC1-benzyl-5-[5-[1-(2-fluoroethyl)piperidin-4-yl]pentanoyl]-N-methyl-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(C(=O)CCCCC2CCN(CCF)CC2)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C26H34FN3O3/c1-28-25(32)23-17-22(19-30(26(23)33)18-21-8-3-2-4-9-21)24(31)10-6-5-7-20-11-14-29(15-12-20)16-13-27/h2-4,8-9,17,19-20H,5-7,10-16,18H2,1H3,(H,28,32)
InChIKeyGMBMZOIBXJEOSY-UHFFFAOYSA-N
MW455.57 g/mol
LogP3.68
Rot. Bonds11

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

1-benzyl-5-[5-[1-(2-fluoroethyl)piperidin-4-yl]pentanoyl]-N-methyl-2-oxopyridine-3-carboxamide (PubChem CID 147664755) has the molecular formula C26H34FN3O3 and a molecular weight of 455.57 g/mol. Its IUPAC name is 1-benzyl-5-[5-[1-(2-fluoroethyl)piperidin-4-yl]pentanoyl]-N-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-[5-[1-(2-fluoroethyl)piperidin-4-yl]pentanoyl]-N-methyl-2-oxopyridine-3-carboxamide
PubChem CID147664755
Molecular FormulaC26H34FN3O3
Molecular Weight455.57 g/mol
Exact Mass455.26
IUPAC Name1-benzyl-5-[5-[1-(2-fluoroethyl)piperidin-4-yl]pentanoyl]-N-methyl-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(C(=O)CCCCC2CCN(CCF)CC2)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C26H34FN3O3/c1-28-25(32)23-17-22(19-30(26(23)33)18-21-8-3-2-4-9-21)24(31)10-6-5-7-20-11-14-29(15-12-20)16-13-27/h2-4,8-9,17,19-20H,5-7,10-16,18H2,1H3,(H,28,32)
InChIKeyGMBMZOIBXJEOSY-UHFFFAOYSA-N
XLogP3.68
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.57
LogP ≤ 53.68
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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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[5-[1-(2-fluoroethyl)piperidin-4-yl]pentanoyl]-N-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-benzyl-5-[5-[1-(2-fluoroethyl)piperidin-4-yl]pentanoyl]-N-methyl-2-oxopyridine-3-carboxamide (CID 147664755) is 1-benzyl-5-[5-[1-(2-fluoroethyl)piperidin-4-yl]pentanoyl]-N-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-5-[5-[1-(2-fluoroethyl)piperidin-4-yl]pentanoyl]-N-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-5-[5-[1-(2-fluoroethyl)piperidin-4-yl]pentanoyl]-N-methyl-2-oxopyridine-3-carboxamide is CNC(=O)c1cc(C(=O)CCCCC2CCN(CCF)CC2)cn(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-5-[5-[1-(2-fluoroethyl)piperidin-4-yl]pentanoyl]-N-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is GMBMZOIBXJEOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN3O3/c1-28-25(32)23-17-22(19-30(26(23)33)18-21-8-3-2-4-9-21)24(31)10-6-5-7-20-11-14-29(15-12-20)16-13-27/h2-4,8-9,17,19-20H,5-7,10-16,18H2,1H3,(H,28,32).
What are the key properties of 1-benzyl-5-[5-[1-(2-fluoroethyl)piperidin-4-yl]pentanoyl]-N-methyl-2-oxopyridine-3-carboxamide?
1-benzyl-5-[5-[1-(2-fluoroethyl)piperidin-4-yl]pentanoyl]-N-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 455.57 g/mol, XLogP of 3.68, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[5-[1-(2-fluoroethyl)piperidin-4-yl]pentanoyl]-N-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 147664755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).