3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(3-fluoro-2-methylphenyl)piperidine-1-carboxamide

C18H23FN4O3 — CID 91907884

IUPAC3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(3-fluoro-2-methylphenyl)piperidine-1-carboxamide
SMILESCCOCc1nc(C2CCCN(C(=O)Nc3cccc(F)c3C)C2)no1
InChIInChI=1S/C18H23FN4O3/c1-3-25-11-16-21-17(22-26-16)13-6-5-9-23(10-13)18(24)20-15-8-4-7-14(19)12(15)2/h4,7-8,13H,3,5-6,9-11H2,1-2H3,(H,20,24)
InChIKeyBGOTVNTWJPLOIV-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.47
Rot. Bonds5

About 3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(3-fluoro-2-methylphenyl)piperidine-1-carboxamide

3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(3-fluoro-2-methylphenyl)piperidine-1-carboxamide (PubChem CID 91907884) has the molecular formula C18H23FN4O3 and a molecular weight of 362.41 g/mol. Its IUPAC name is 3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(3-fluoro-2-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(3-fluoro-2-methylphenyl)piperidine-1-carboxamide
PubChem CID91907884
Molecular FormulaC18H23FN4O3
Molecular Weight362.41 g/mol
Exact Mass362.18
IUPAC Name3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(3-fluoro-2-methylphenyl)piperidine-1-carboxamide
SMILESCCOCc1nc(C2CCCN(C(=O)Nc3cccc(F)c3C)C2)no1
InChIInChI=1S/C18H23FN4O3/c1-3-25-11-16-21-17(22-26-16)13-6-5-9-23(10-13)18(24)20-15-8-4-7-14(19)12(15)2/h4,7-8,13H,3,5-6,9-11H2,1-2H3,(H,20,24)
InChIKeyBGOTVNTWJPLOIV-UHFFFAOYSA-N
XLogP3.47
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2,3-dimethylphenyl)piperidine-1-carboxamide
CID 163339418
[3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 91918469
3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-(4-methoxy-2-methylphenyl)piperidine-1-carboxamide
CID 91918572
[3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 91907871
[3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 91918475
N-benzyl-3-[5-(phenylmethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
CID 91907968
[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 91918540
(3R)-3-(2-amino-2-oxoethyl)-N-(3-fluoro-2-methylphenyl)piperidine-1-carboxamide
CID 99715459
[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-fluorophenyl)methanone
CID 91918537
(3R)-N-ethyl-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
CID 95320062
[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 91918423
(3R)-N-(3-cyanophenyl)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
CID 95267695

Frequently Asked Questions

What is the IUPAC name of 3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(3-fluoro-2-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of 3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(3-fluoro-2-methylphenyl)piperidine-1-carboxamide (CID 91907884) is 3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(3-fluoro-2-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(3-fluoro-2-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(3-fluoro-2-methylphenyl)piperidine-1-carboxamide is CCOCc1nc(C2CCCN(C(=O)Nc3cccc(F)c3C)C2)no1.
What is the InChIKey of 3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(3-fluoro-2-methylphenyl)piperidine-1-carboxamide?
The InChIKey is BGOTVNTWJPLOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O3/c1-3-25-11-16-21-17(22-26-16)13-6-5-9-23(10-13)18(24)20-15-8-4-7-14(19)12(15)2/h4,7-8,13H,3,5-6,9-11H2,1-2H3,(H,20,24).
What are the key properties of 3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(3-fluoro-2-methylphenyl)piperidine-1-carboxamide?
3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(3-fluoro-2-methylphenyl)piperidine-1-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(3-fluoro-2-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 91907884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).