N-(1-benzylpiperidin-4-yl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C24H28N4O2 — CID 3244370

IUPACN-(1-benzylpiperidin-4-yl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCc1ccc(-c2noc(CCC(=O)NC3CCN(Cc4ccccc4)CC3)n2)cc1
InChIInChI=1S/C24H28N4O2/c1-18-7-9-20(10-8-18)24-26-23(30-27-24)12-11-22(29)25-21-13-15-28(16-14-21)17-19-5-3-2-4-6-19/h2-10,21H,11-17H2,1H3,(H,25,29)
InChIKeyZUYQYWRFKRNDAV-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.76
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-(1-benzylpiperidin-4-yl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 3244370) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID3244370
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCc1ccc(-c2noc(CCC(=O)NC3CCN(Cc4ccccc4)CC3)n2)cc1
InChIInChI=1S/C24H28N4O2/c1-18-7-9-20(10-8-18)24-26-23(30-27-24)12-11-22(29)25-21-13-15-28(16-14-21)17-19-5-3-2-4-6-19/h2-10,21H,11-17H2,1H3,(H,25,29)
InChIKeyZUYQYWRFKRNDAV-UHFFFAOYSA-N
XLogP3.76
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 3244370) is N-(1-benzylpiperidin-4-yl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is Cc1ccc(-c2noc(CCC(=O)NC3CCN(Cc4ccccc4)CC3)n2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is ZUYQYWRFKRNDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-18-7-9-20(10-8-18)24-26-23(30-27-24)12-11-22(29)25-21-13-15-28(16-14-21)17-19-5-3-2-4-6-19/h2-10,21H,11-17H2,1H3,(H,25,29).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(1-benzylpiperidin-4-yl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 404.51 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 3244370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).