3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide

C21H22N4O3 — CID 3226073

IUPAC3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
SMILESCOc1ccc(-c2noc(C3CCCN(C(=O)Nc4ccccc4)C3)n2)cc1
InChIInChI=1S/C21H22N4O3/c1-27-18-11-9-15(10-12-18)19-23-20(28-24-19)16-6-5-13-25(14-16)21(26)22-17-7-3-2-4-8-17/h2-4,7-12,16H,5-6,13-14H2,1H3,(H,22,26)
InChIKeyGNGDOSLZWNNHDP-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.16
Rot. Bonds4

About 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide

3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide (PubChem CID 3226073) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
PubChem CID3226073
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
SMILESCOc1ccc(-c2noc(C3CCCN(C(=O)Nc4ccccc4)C3)n2)cc1
InChIInChI=1S/C21H22N4O3/c1-27-18-11-9-15(10-12-18)19-23-20(28-24-19)16-6-5-13-25(14-16)21(26)22-17-7-3-2-4-8-17/h2-4,7-12,16H,5-6,13-14H2,1H3,(H,22,26)
InChIKeyGNGDOSLZWNNHDP-UHFFFAOYSA-N
XLogP4.16
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide (CID 3226073) is 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide is COc1ccc(-c2noc(C3CCCN(C(=O)Nc4ccccc4)C3)n2)cc1.
What is the InChIKey of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is GNGDOSLZWNNHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-27-18-11-9-15(10-12-18)19-23-20(28-24-19)16-6-5-13-25(14-16)21(26)22-17-7-3-2-4-8-17/h2-4,7-12,16H,5-6,13-14H2,1H3,(H,22,26).
What are the key properties of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide?
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 3226073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).