3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2,3-dimethylphenyl)piperidine-1-carboxamide

C20H26N4O3 — CID 163339418

IUPAC3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2,3-dimethylphenyl)piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCCC(OCc3nc(C4CC4)no3)C2)c1C
InChIInChI=1S/C20H26N4O3/c1-13-5-3-7-17(14(13)2)21-20(25)24-10-4-6-16(11-24)26-12-18-22-19(23-27-18)15-8-9-15/h3,5,7,15-16H,4,6,8-12H2,1-2H3,(H,21,25)
InChIKeyVVIVDVHRQGDCSO-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.78
Rot. Bonds5

About 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2,3-dimethylphenyl)piperidine-1-carboxamide

3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2,3-dimethylphenyl)piperidine-1-carboxamide (PubChem CID 163339418) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2,3-dimethylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2,3-dimethylphenyl)piperidine-1-carboxamide
PubChem CID163339418
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2,3-dimethylphenyl)piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCCC(OCc3nc(C4CC4)no3)C2)c1C
InChIInChI=1S/C20H26N4O3/c1-13-5-3-7-17(14(13)2)21-20(25)24-10-4-6-16(11-24)26-12-18-22-19(23-27-18)15-8-9-15/h3,5,7,15-16H,4,6,8-12H2,1-2H3,(H,21,25)
InChIKeyVVIVDVHRQGDCSO-UHFFFAOYSA-N
XLogP3.78
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-benzyl-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxamide
CID 95990869
3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(3-fluoro-2-methylphenyl)piperidine-1-carboxamide
CID 91907884
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone
CID 71687010
cyclohexyl-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone
CID 163338903
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-thiophen-3-ylmethanone
CID 71687021
1-[(3S)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-thiophen-3-ylethanone
CID 95990830
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 163338950
2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 56764466
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-methylpiperidine-1-carboxamide
CID 163339507
ethyl (3S)-1-[(2,3-dimethylphenyl)carbamoyl]piperidine-3-carboxylate
CID 94172269
3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-(4-methoxy-2-methylphenyl)piperidine-1-carboxamide
CID 91918572
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 163339001

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2,3-dimethylphenyl)piperidine-1-carboxamide?
The IUPAC name of 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2,3-dimethylphenyl)piperidine-1-carboxamide (CID 163339418) is 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2,3-dimethylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2,3-dimethylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2,3-dimethylphenyl)piperidine-1-carboxamide is Cc1cccc(NC(=O)N2CCCC(OCc3nc(C4CC4)no3)C2)c1C.
What is the InChIKey of 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2,3-dimethylphenyl)piperidine-1-carboxamide?
The InChIKey is VVIVDVHRQGDCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-13-5-3-7-17(14(13)2)21-20(25)24-10-4-6-16(11-24)26-12-18-22-19(23-27-18)15-8-9-15/h3,5,7,15-16H,4,6,8-12H2,1-2H3,(H,21,25).
What are the key properties of 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2,3-dimethylphenyl)piperidine-1-carboxamide?
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2,3-dimethylphenyl)piperidine-1-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2,3-dimethylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 163339418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).