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

C28H36N4O4 — CID 43929689

IUPACN-[1-(3,4-diethoxyphenyl)ethyl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
SMILESCCOc1ccc(C(C)NC(=O)C2CCCN(Cc3nc(-c4ccccc4C)no3)C2)cc1OCC
InChIInChI=1S/C28H36N4O4/c1-5-34-24-14-13-21(16-25(24)35-6-2)20(4)29-28(33)22-11-9-15-32(17-22)18-26-30-27(31-36-26)23-12-8-7-10-19(23)3/h7-8,10,12-14,16,20,22H,5-6,9,11,15,17-18H2,1-4H3,(H,29,33)
InChIKeyLZFJTRSFPUFRTG-UHFFFAOYSA-N
MW492.62 g/mol
LogP4.93
Rot. Bonds10

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

N-[1-(3,4-diethoxyphenyl)ethyl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide (PubChem CID 43929689) has the molecular formula C28H36N4O4 and a molecular weight of 492.62 g/mol. Its IUPAC name is N-[1-(3,4-diethoxyphenyl)ethyl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-diethoxyphenyl)ethyl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
PubChem CID43929689
Molecular FormulaC28H36N4O4
Molecular Weight492.62 g/mol
Exact Mass492.27
IUPAC NameN-[1-(3,4-diethoxyphenyl)ethyl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
SMILESCCOc1ccc(C(C)NC(=O)C2CCCN(Cc3nc(-c4ccccc4C)no3)C2)cc1OCC
InChIInChI=1S/C28H36N4O4/c1-5-34-24-14-13-21(16-25(24)35-6-2)20(4)29-28(33)22-11-9-15-32(17-22)18-26-30-27(31-36-26)23-12-8-7-10-19(23)3/h7-8,10,12-14,16,20,22H,5-6,9,11,15,17-18H2,1-4H3,(H,29,33)
InChIKeyLZFJTRSFPUFRTG-UHFFFAOYSA-N
XLogP4.93
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(3,4-diethoxyphenyl)ethyl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-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-butan-2-yl-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929446
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-piperidin-1-ylphenyl)ethyl]piperidine-3-carboxamide
CID 43929809
N-[1-(4-methoxyphenyl)propyl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929760
N-[1-(2-methoxyphenoxy)propan-2-yl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929854
1-benzyl-N-[1-(3,4-diethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 46773192
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 43933937
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-methylphenyl)-phenylmethyl]piperidine-3-carboxamide
CID 43929819
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 43933936
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 43929847
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43929579
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentan-3-ylpiperidine-4-carboxamide
CID 38139430
N-[1-(2-methylphenyl)propyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43929436

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide (CID 43929689) is N-[1-(3,4-diethoxyphenyl)ethyl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[1-(3,4-diethoxyphenyl)ethyl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[1-(3,4-diethoxyphenyl)ethyl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide is CCOc1ccc(C(C)NC(=O)C2CCCN(Cc3nc(-c4ccccc4C)no3)C2)cc1OCC.
What is the InChIKey of N-[1-(3,4-diethoxyphenyl)ethyl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The InChIKey is LZFJTRSFPUFRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O4/c1-5-34-24-14-13-21(16-25(24)35-6-2)20(4)29-28(33)22-11-9-15-32(17-22)18-26-30-27(31-36-26)23-12-8-7-10-19(23)3/h7-8,10,12-14,16,20,22H,5-6,9,11,15,17-18H2,1-4H3,(H,29,33).
What are the key properties of N-[1-(3,4-diethoxyphenyl)ethyl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
N-[1-(3,4-diethoxyphenyl)ethyl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide has a molecular weight of 492.62 g/mol, XLogP of 4.93, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-diethoxyphenyl)ethyl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43929689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).