4-fluoro-N-[2-[4-oxo-4-piperidin-1-yl-2-(pyridine-3-carbonyl)butyl]sulfanylethyl]benzamide

C24H28FN3O3S — CID 21340905

IUPAC4-fluoro-N-[2-[4-oxo-4-piperidin-1-yl-2-(pyridine-3-carbonyl)butyl]sulfanylethyl]benzamide
SMILESO=C(NCCSCC(CC(=O)N1CCCCC1)C(=O)c1cccnc1)c1ccc(F)cc1
InChIInChI=1S/C24H28FN3O3S/c25-21-8-6-18(7-9-21)24(31)27-11-14-32-17-20(23(30)19-5-4-10-26-16-19)15-22(29)28-12-2-1-3-13-28/h4-10,16,20H,1-3,11-15,17H2,(H,27,31)
InChIKeyALUYRYSTSOABOC-UHFFFAOYSA-N
MW457.57 g/mol
LogP3.59
Rot. Bonds10

About 4-fluoro-N-[2-[4-oxo-4-piperidin-1-yl-2-(pyridine-3-carbonyl)butyl]sulfanylethyl]benzamide

4-fluoro-N-[2-[4-oxo-4-piperidin-1-yl-2-(pyridine-3-carbonyl)butyl]sulfanylethyl]benzamide (PubChem CID 21340905) has the molecular formula C24H28FN3O3S and a molecular weight of 457.57 g/mol. Its IUPAC name is 4-fluoro-N-[2-[4-oxo-4-piperidin-1-yl-2-(pyridine-3-carbonyl)butyl]sulfanylethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[4-oxo-4-piperidin-1-yl-2-(pyridine-3-carbonyl)butyl]sulfanylethyl]benzamide
PubChem CID21340905
Molecular FormulaC24H28FN3O3S
Molecular Weight457.57 g/mol
Exact Mass457.18
IUPAC Name4-fluoro-N-[2-[4-oxo-4-piperidin-1-yl-2-(pyridine-3-carbonyl)butyl]sulfanylethyl]benzamide
SMILESO=C(NCCSCC(CC(=O)N1CCCCC1)C(=O)c1cccnc1)c1ccc(F)cc1
InChIInChI=1S/C24H28FN3O3S/c25-21-8-6-18(7-9-21)24(31)27-11-14-32-17-20(23(30)19-5-4-10-26-16-19)15-22(29)28-12-2-1-3-13-28/h4-10,16,20H,1-3,11-15,17H2,(H,27,31)
InChIKeyALUYRYSTSOABOC-UHFFFAOYSA-N
XLogP3.59
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.57
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-fluoro-N-[2-[4-oxo-4-piperidin-1-yl-2-(pyridine-3-carbonyl)butyl]sulfanylethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-N-[2-[4-oxo-4-piperidin-1-yl-2-(pyridine-3-carbonyl)butyl]sulfanylethyl]cyclohepta-1,4,6-triene-1-carboxamide
CID 142066395
2-amino-N-[2-[2-(2-oxo-2-piperidin-1-ylethyl)-3-pyridin-3-ylbut-3-enyl]sulfanylethyl]acetamide
CID 142066381
4-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 47250876
N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2989240
4-oxo-3-[2-(phenylcarbamoylamino)ethylsulfanylmethyl]-4-pyridin-3-ylbutanoic acid
CID 10271552
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide
CID 84506470
N-(3-oxo-3-piperazin-1-ylpropyl)pyridine-3-carboxamide
CID 28709234
1-pyridin-3-yl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 22925185
N-[2-[[amino(piperidin-1-yl)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111055652
2-[2-[(2-cyclohexylacetyl)amino]ethylsulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoic acid
CID 139950309
4-fluoro-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 30543562
N-[2-[[N-ethyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)carbamimidoyl]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111929650

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[4-oxo-4-piperidin-1-yl-2-(pyridine-3-carbonyl)butyl]sulfanylethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[4-oxo-4-piperidin-1-yl-2-(pyridine-3-carbonyl)butyl]sulfanylethyl]benzamide (CID 21340905) is 4-fluoro-N-[2-[4-oxo-4-piperidin-1-yl-2-(pyridine-3-carbonyl)butyl]sulfanylethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[4-oxo-4-piperidin-1-yl-2-(pyridine-3-carbonyl)butyl]sulfanylethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[4-oxo-4-piperidin-1-yl-2-(pyridine-3-carbonyl)butyl]sulfanylethyl]benzamide is O=C(NCCSCC(CC(=O)N1CCCCC1)C(=O)c1cccnc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-[4-oxo-4-piperidin-1-yl-2-(pyridine-3-carbonyl)butyl]sulfanylethyl]benzamide?
The InChIKey is ALUYRYSTSOABOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O3S/c25-21-8-6-18(7-9-21)24(31)27-11-14-32-17-20(23(30)19-5-4-10-26-16-19)15-22(29)28-12-2-1-3-13-28/h4-10,16,20H,1-3,11-15,17H2,(H,27,31).
What are the key properties of 4-fluoro-N-[2-[4-oxo-4-piperidin-1-yl-2-(pyridine-3-carbonyl)butyl]sulfanylethyl]benzamide?
4-fluoro-N-[2-[4-oxo-4-piperidin-1-yl-2-(pyridine-3-carbonyl)butyl]sulfanylethyl]benzamide has a molecular weight of 457.57 g/mol, XLogP of 3.59, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[4-oxo-4-piperidin-1-yl-2-(pyridine-3-carbonyl)butyl]sulfanylethyl]benzamide is sourced from PubChem (CID 21340905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).