4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide

C29H30N4O2 — CID 112822743

IUPAC4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide
SMILESCc1ccc(-c2nnc(-c3ccc(C(=O)NC4CCN(CCc5ccccc5)CC4)cc3)o2)cc1
InChIInChI=1S/C29H30N4O2/c1-21-7-9-24(10-8-21)28-31-32-29(35-28)25-13-11-23(12-14-25)27(34)30-26-16-19-33(20-17-26)18-15-22-5-3-2-4-6-22/h2-14,26H,15-20H2,1H3,(H,30,34)
InChIKeyWNRHYUSJDDGXSK-UHFFFAOYSA-N
MW466.59 g/mol
LogP5.15
Rot. Bonds7

About 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide

4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide (PubChem CID 112822743) has the molecular formula C29H30N4O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide
PubChem CID112822743
Molecular FormulaC29H30N4O2
Molecular Weight466.59 g/mol
Exact Mass466.24
IUPAC Name4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide
SMILESCc1ccc(-c2nnc(-c3ccc(C(=O)NC4CCN(CCc5ccccc5)CC4)cc3)o2)cc1
InChIInChI=1S/C29H30N4O2/c1-21-7-9-24(10-8-21)28-31-32-29(35-28)25-13-11-23(12-14-25)27(34)30-26-16-19-33(20-17-26)18-15-22-5-3-2-4-6-22/h2-14,26H,15-20H2,1H3,(H,30,34)
InChIKeyWNRHYUSJDDGXSK-UHFFFAOYSA-N
XLogP5.15
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.59
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide 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 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide?
The IUPAC name of 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide (CID 112822743) is 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide?
The canonical SMILES for 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide is Cc1ccc(-c2nnc(-c3ccc(C(=O)NC4CCN(CCc5ccccc5)CC4)cc3)o2)cc1.
What is the InChIKey of 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide?
The InChIKey is WNRHYUSJDDGXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O2/c1-21-7-9-24(10-8-21)28-31-32-29(35-28)25-13-11-23(12-14-25)27(34)30-26-16-19-33(20-17-26)18-15-22-5-3-2-4-6-22/h2-14,26H,15-20H2,1H3,(H,30,34).
What are the key properties of 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide?
4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide has a molecular weight of 466.59 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 112822743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).