3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-2-piperidin-1-ylpropyl)propanamide

C21H30N4O3 — CID 51313176

IUPAC3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-2-piperidin-1-ylpropyl)propanamide
SMILESCOc1ccc(-c2noc(CCC(=O)NCC(C)(C)N3CCCCC3)n2)cc1
InChIInChI=1S/C21H30N4O3/c1-21(2,25-13-5-4-6-14-25)15-22-18(26)11-12-19-23-20(24-28-19)16-7-9-17(27-3)10-8-16/h7-10H,4-6,11-15H2,1-3H3,(H,22,26)
InChIKeyZACXEDLCISCUAV-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.06
Rot. Bonds8

About 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-2-piperidin-1-ylpropyl)propanamide

3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-2-piperidin-1-ylpropyl)propanamide (PubChem CID 51313176) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-2-piperidin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-2-piperidin-1-ylpropyl)propanamide
PubChem CID51313176
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-2-piperidin-1-ylpropyl)propanamide
SMILESCOc1ccc(-c2noc(CCC(=O)NCC(C)(C)N3CCCCC3)n2)cc1
InChIInChI=1S/C21H30N4O3/c1-21(2,25-13-5-4-6-14-25)15-22-18(26)11-12-19-23-20(24-28-19)16-7-9-17(27-3)10-8-16/h7-10H,4-6,11-15H2,1-3H3,(H,22,26)
InChIKeyZACXEDLCISCUAV-UHFFFAOYSA-N
XLogP3.06
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-2,2-dimethylpropanoic acid
CID 119250010
N-[3-(azepan-1-yl)propyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 20851549
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 7419913
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide
CID 46691974
3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-methyl-2-pyrrolidin-1-ylpropyl)propanamide
CID 110622556
N-cycloheptyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 16594216
2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 47506456
N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 60568817
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 134018961
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 24544204
4-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]butanoic acid
CID 51064825
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-morpholin-4-ylbutyl)propanamide
CID 55742496

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-2-piperidin-1-ylpropyl)propanamide?
The IUPAC name of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-2-piperidin-1-ylpropyl)propanamide (CID 51313176) is 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-2-piperidin-1-ylpropyl)propanamide.
What is the SMILES notation for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-2-piperidin-1-ylpropyl)propanamide?
The canonical SMILES for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-2-piperidin-1-ylpropyl)propanamide is COc1ccc(-c2noc(CCC(=O)NCC(C)(C)N3CCCCC3)n2)cc1.
What is the InChIKey of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-2-piperidin-1-ylpropyl)propanamide?
The InChIKey is ZACXEDLCISCUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-21(2,25-13-5-4-6-14-25)15-22-18(26)11-12-19-23-20(24-28-19)16-7-9-17(27-3)10-8-16/h7-10H,4-6,11-15H2,1-3H3,(H,22,26).
What are the key properties of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-2-piperidin-1-ylpropyl)propanamide?
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-2-piperidin-1-ylpropyl)propanamide has a molecular weight of 386.50 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-2-piperidin-1-ylpropyl)propanamide is sourced from PubChem (CID 51313176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).