3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-(4-methoxy-2-methylphenyl)piperidine-1-carboxamide

C23H25FN4O4 — CID 91918572

IUPAC3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-(4-methoxy-2-methylphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCC(c3noc(COc4ccccc4F)n3)C2)c(C)c1
InChIInChI=1S/C23H25FN4O4/c1-15-12-17(30-2)9-10-19(15)25-23(29)28-11-5-6-16(13-28)22-26-21(32-27-22)14-31-20-8-4-3-7-18(20)24/h3-4,7-10,12,16H,5-6,11,13-14H2,1-2H3,(H,25,29)
InChIKeySPZHBBUATYSARM-UHFFFAOYSA-N
MW440.48 g/mol
LogP4.52
Rot. Bonds6

About 3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-(4-methoxy-2-methylphenyl)piperidine-1-carboxamide

3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-(4-methoxy-2-methylphenyl)piperidine-1-carboxamide (PubChem CID 91918572) has the molecular formula C23H25FN4O4 and a molecular weight of 440.48 g/mol. Its IUPAC name is 3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-(4-methoxy-2-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-(4-methoxy-2-methylphenyl)piperidine-1-carboxamide
PubChem CID91918572
Molecular FormulaC23H25FN4O4
Molecular Weight440.48 g/mol
Exact Mass440.19
IUPAC Name3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-(4-methoxy-2-methylphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCC(c3noc(COc4ccccc4F)n3)C2)c(C)c1
InChIInChI=1S/C23H25FN4O4/c1-15-12-17(30-2)9-10-19(15)25-23(29)28-11-5-6-16(13-28)22-26-21(32-27-22)14-31-20-8-4-3-7-18(20)24/h3-4,7-10,12,16H,5-6,11,13-14H2,1-2H3,(H,25,29)
InChIKeySPZHBBUATYSARM-UHFFFAOYSA-N
XLogP4.52
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-(4-methoxy-2-methylphenyl)piperidine-1-carboxamide with MolForge

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Related Compounds

[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 91918540
[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-fluorophenyl)methanone
CID 91918537
[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 91907932
3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(3-fluoro-2-methylphenyl)piperidine-1-carboxamide
CID 91907884
(2,4-dimethoxyphenyl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 91918435
(3S)-3-amino-N-(4-methoxy-2-methylphenyl)piperidine-1-carboxamide
CID 125179914
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2,3-dimethylphenyl)piperidine-1-carboxamide
CID 163339418
(3-methylphenyl)-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 91907894
1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
CID 91907841
[3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 91907871
(3,5-dimethoxyphenyl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 91918447
[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 95221983

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-(4-methoxy-2-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of 3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-(4-methoxy-2-methylphenyl)piperidine-1-carboxamide (CID 91918572) is 3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-(4-methoxy-2-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-(4-methoxy-2-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-(4-methoxy-2-methylphenyl)piperidine-1-carboxamide is COc1ccc(NC(=O)N2CCCC(c3noc(COc4ccccc4F)n3)C2)c(C)c1.
What is the InChIKey of 3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-(4-methoxy-2-methylphenyl)piperidine-1-carboxamide?
The InChIKey is SPZHBBUATYSARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O4/c1-15-12-17(30-2)9-10-19(15)25-23(29)28-11-5-6-16(13-28)22-26-21(32-27-22)14-31-20-8-4-3-7-18(20)24/h3-4,7-10,12,16H,5-6,11,13-14H2,1-2H3,(H,25,29).
What are the key properties of 3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-(4-methoxy-2-methylphenyl)piperidine-1-carboxamide?
3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-(4-methoxy-2-methylphenyl)piperidine-1-carboxamide has a molecular weight of 440.48 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-(4-methoxy-2-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 91918572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).