4-fluoro-N-[[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]methyl]benzamide

C18H21FN4O3 — CID 45226099

IUPAC4-fluoro-N-[[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]methyl]benzamide
SMILESCc1nonc1CC(=O)N1CCCC(CNC(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C18H21FN4O3/c1-12-16(22-26-21-12)9-17(24)23-8-2-3-13(11-23)10-20-18(25)14-4-6-15(19)7-5-14/h4-7,13H,2-3,8-11H2,1H3,(H,20,25)
InChIKeyJIJWHLMWEHJCSA-UHFFFAOYSA-N
MW360.39 g/mol
LogP1.73
Rot. Bonds5

About 4-fluoro-N-[[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]methyl]benzamide

4-fluoro-N-[[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]methyl]benzamide (PubChem CID 45226099) has the molecular formula C18H21FN4O3 and a molecular weight of 360.39 g/mol. Its IUPAC name is 4-fluoro-N-[[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]methyl]benzamide
PubChem CID45226099
Molecular FormulaC18H21FN4O3
Molecular Weight360.39 g/mol
Exact Mass360.16
IUPAC Name4-fluoro-N-[[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]methyl]benzamide
SMILESCc1nonc1CC(=O)N1CCCC(CNC(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C18H21FN4O3/c1-12-16(22-26-21-12)9-17(24)23-8-2-3-13(11-23)10-20-18(25)14-4-6-15(19)7-5-14/h4-7,13H,2-3,8-11H2,1H3,(H,20,25)
InChIKeyJIJWHLMWEHJCSA-UHFFFAOYSA-N
XLogP1.73
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-[[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]methyl]benzamide with MolForge

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Related Compounds

4-amino-N-[2-[(2-fluorobenzoyl)amino]ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 579737
{1-[(4-Methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl}[3-(trifluoromethyl)phenyl]methanone
CID 16189111
2-[1-(2-fluorobenzyl)-3-oxo-2-piperazinyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide
CID 24816744
N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-{3-oxo-1-[3-(trifluoromethyl)benzyl]-2-piperazinyl}acetamide
CID 16188922
2-[1-(3,4-difluorobenzyl)-3-oxo-2-piperazinyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide
CID 16189060
N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-[2-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 126466410
4-amino-N-[2-[(3-fluorobenzoyl)amino]ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 2975557
4-amino-N-{2-[(4-fluorobenzoyl)amino]ethyl}-1,2,5-oxadiazole-3-carboxamide
CID 3118894
N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 16671445
N-[(2S)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]-3-methylbutan-2-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 16671456
N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 16673635
4-{[4-(3-Fluorobenzoyl)piperazin-1-yl]carbonyl}-1,2,5-oxadiazol-3-amine
CID 20895388

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]methyl]benzamide?
The IUPAC name of 4-fluoro-N-[[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]methyl]benzamide (CID 45226099) is 4-fluoro-N-[[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]methyl]benzamide is Cc1nonc1CC(=O)N1CCCC(CNC(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 4-fluoro-N-[[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]methyl]benzamide?
The InChIKey is JIJWHLMWEHJCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O3/c1-12-16(22-26-21-12)9-17(24)23-8-2-3-13(11-23)10-20-18(25)14-4-6-15(19)7-5-14/h4-7,13H,2-3,8-11H2,1H3,(H,20,25).
What are the key properties of 4-fluoro-N-[[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]methyl]benzamide?
4-fluoro-N-[[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]methyl]benzamide has a molecular weight of 360.39 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 45226099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).