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

C24H28N4O3 — CID 50814427

IUPACN-(2-methoxy-5-methylphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCCN(Cc2noc(-c3ccc(C)cc3)n2)C1
InChIInChI=1S/C24H28N4O3/c1-16-6-9-18(10-7-16)24-26-22(27-31-24)15-28-12-4-5-19(14-28)23(29)25-20-13-17(2)8-11-21(20)30-3/h6-11,13,19H,4-5,12,14-15H2,1-3H3,(H,25,29)
InChIKeyQEPWLOKNSVYVPC-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.21
Rot. Bonds6

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

N-(2-methoxy-5-methylphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide (PubChem CID 50814427) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
PubChem CID50814427
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-(2-methoxy-5-methylphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCCN(Cc2noc(-c3ccc(C)cc3)n2)C1
InChIInChI=1S/C24H28N4O3/c1-16-6-9-18(10-7-16)24-26-22(27-31-24)15-28-12-4-5-19(14-28)23(29)25-20-13-17(2)8-11-21(20)30-3/h6-11,13,19H,4-5,12,14-15H2,1-3H3,(H,25,29)
InChIKeyQEPWLOKNSVYVPC-UHFFFAOYSA-N
XLogP4.21
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-methoxy-5-methylphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(3,5-dimethylphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 50814421
(3R)-N-(2,4-difluorophenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 92733350
(3S)-N-(2-ethylphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 92733375
(3R)-N-[(2-methoxyphenyl)methyl]-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 92733298
(3R)-N-(4-hydroxyphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 92733328
(3R)-N-(4-bromophenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 92733338
N-cyclopentyl-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 50814408
(3S)-N-cyclopentyl-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 92733295
1-[(4-bromophenyl)methyl]-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 43921527
(3S)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,4-dimethylphenyl)piperidine-3-carboxamide
CID 26773029
N-benzyl-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 50814453
N-(2,5-dimethoxyphenyl)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43931166

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide (CID 50814427) is N-(2-methoxy-5-methylphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide is COc1ccc(C)cc1NC(=O)C1CCCN(Cc2noc(-c3ccc(C)cc3)n2)C1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide?
The InChIKey is QEPWLOKNSVYVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-16-6-9-18(10-7-16)24-26-22(27-31-24)15-28-12-4-5-19(14-28)23(29)25-20-13-17(2)8-11-21(20)30-3/h6-11,13,19H,4-5,12,14-15H2,1-3H3,(H,25,29).
What are the key properties of N-(2-methoxy-5-methylphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide?
N-(2-methoxy-5-methylphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 50814427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).