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

C22H24N4O2 — CID 3946755

IUPACN-benzyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESCc1ccc(-c2noc(C3CCN(C(=O)NCc4ccccc4)CC3)n2)cc1
InChIInChI=1S/C22H24N4O2/c1-16-7-9-18(10-8-16)20-24-21(28-25-20)19-11-13-26(14-12-19)22(27)23-15-17-5-3-2-4-6-17/h2-10,19H,11-15H2,1H3,(H,23,27)
InChIKeyDUIXGBPIRKZSDI-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.13
Rot. Bonds4

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

N-benzyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (PubChem CID 3946755) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-benzyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
PubChem CID3946755
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-benzyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESCc1ccc(-c2noc(C3CCN(C(=O)NCc4ccccc4)CC3)n2)cc1
InChIInChI=1S/C22H24N4O2/c1-16-7-9-18(10-8-16)20-24-21(28-25-20)19-11-13-26(14-12-19)22(27)23-15-17-5-3-2-4-6-17/h2-10,19H,11-15H2,1H3,(H,23,27)
InChIKeyDUIXGBPIRKZSDI-UHFFFAOYSA-N
XLogP4.13
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-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 N-benzyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The IUPAC name of N-benzyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (CID 3946755) is N-benzyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for N-benzyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is Cc1ccc(-c2noc(C3CCN(C(=O)NCc4ccccc4)CC3)n2)cc1.
What is the InChIKey of N-benzyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The InChIKey is DUIXGBPIRKZSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16-7-9-18(10-8-16)20-24-21(28-25-20)19-11-13-26(14-12-19)22(27)23-15-17-5-3-2-4-6-17/h2-10,19H,11-15H2,1H3,(H,23,27).
What are the key properties of N-benzyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
N-benzyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 3946755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).