(4-methylpiperidin-1-yl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone

C21H21N3O2 — CID 20973292

IUPAC(4-methylpiperidin-1-yl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
SMILESCC1CCN(C(=O)c2cccc(-c3nc(-c4ccccc4)no3)c2)CC1
InChIInChI=1S/C21H21N3O2/c1-15-10-12-24(13-11-15)21(25)18-9-5-8-17(14-18)20-22-19(23-26-20)16-6-3-2-4-7-16/h2-9,14-15H,10-13H2,1H3
InChIKeyBDBSZSSWZBNDDR-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.28
Rot. Bonds3

About (4-methylpiperidin-1-yl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone

(4-methylpiperidin-1-yl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone (PubChem CID 20973292) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
PubChem CID20973292
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name(4-methylpiperidin-1-yl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
SMILESCC1CCN(C(=O)c2cccc(-c3nc(-c4ccccc4)no3)c2)CC1
InChIInChI=1S/C21H21N3O2/c1-15-10-12-24(13-11-15)21(25)18-9-5-8-17(14-18)20-22-19(23-26-20)16-6-3-2-4-7-16/h2-9,14-15H,10-13H2,1H3
InChIKeyBDBSZSSWZBNDDR-UHFFFAOYSA-N
XLogP4.28
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone (CID 20973292) is (4-methylpiperidin-1-yl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone is CC1CCN(C(=O)c2cccc(-c3nc(-c4ccccc4)no3)c2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone?
The InChIKey is BDBSZSSWZBNDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-15-10-12-24(13-11-15)21(25)18-9-5-8-17(14-18)20-22-19(23-26-20)16-6-3-2-4-7-16/h2-9,14-15H,10-13H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone?
(4-methylpiperidin-1-yl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone has a molecular weight of 347.42 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone is sourced from PubChem (CID 20973292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).