N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide

C20H28N4O3 — CID 45225136

IUPACN-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide
SMILESCOc1ccc(CCN2CCCC(CN(C)C(=O)c3nonc3C)C2)cc1
InChIInChI=1S/C20H28N4O3/c1-15-19(22-27-21-15)20(25)23(2)13-17-5-4-11-24(14-17)12-10-16-6-8-18(26-3)9-7-16/h6-9,17H,4-5,10-14H2,1-3H3
InChIKeyBWFFWCZVPPIVQV-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.41
Rot. Bonds7

About N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide

N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 45225136) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID45225136
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide
SMILESCOc1ccc(CCN2CCCC(CN(C)C(=O)c3nonc3C)C2)cc1
InChIInChI=1S/C20H28N4O3/c1-15-19(22-27-21-15)20(25)23(2)13-17-5-4-11-24(14-17)12-10-16-6-8-18(26-3)9-7-16/h6-9,17H,4-5,10-14H2,1-3H3
InChIKeyBWFFWCZVPPIVQV-UHFFFAOYSA-N
XLogP2.41
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,2,5-oxadiazole-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

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide (CID 45225136) is N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide is COc1ccc(CCN2CCCC(CN(C)C(=O)c3nonc3C)C2)cc1.
What is the InChIKey of N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is BWFFWCZVPPIVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-15-19(22-27-21-15)20(25)23(2)13-17-5-4-11-24(14-17)12-10-16-6-8-18(26-3)9-7-16/h6-9,17H,4-5,10-14H2,1-3H3.
What are the key properties of N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide?
N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 2.41, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 45225136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).