3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperidin-1-yl)propan-1-one

C18H23N3O3 — CID 5130333

IUPAC3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCOc1ccccc1-c1noc(CCC(=O)N2CCC(C)CC2)n1
InChIInChI=1S/C18H23N3O3/c1-13-9-11-21(12-10-13)17(22)8-7-16-19-18(20-24-16)14-5-3-4-6-15(14)23-2/h3-6,13H,7-12H2,1-2H3
InChIKeyBBLYOFKDQBITPK-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.94
Rot. Bonds5

About 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperidin-1-yl)propan-1-one

3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 5130333) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID5130333
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCOc1ccccc1-c1noc(CCC(=O)N2CCC(C)CC2)n1
InChIInChI=1S/C18H23N3O3/c1-13-9-11-21(12-10-13)17(22)8-7-16-19-18(20-24-16)14-5-3-4-6-15(14)23-2/h3-6,13H,7-12H2,1-2H3
InChIKeyBBLYOFKDQBITPK-UHFFFAOYSA-N
XLogP2.94
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-morpholin-4-ylpropan-1-one
CID 3721998
1-(4-methylpiperidin-1-yl)-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 100761827
1-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 164696676
4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 55201236
1-(4-methylpiperidin-1-yl)-2-[2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethanone
CID 50753324
3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 3747520
N,N-diethyl-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 2019912
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-phenylpiperidin-1-yl)propan-1-one
CID 46539168
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 100757856
1-(4-ethylpiperazin-1-yl)-2-[1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]ethanone
CID 86902074
N-[2-(2-methoxyphenyl)ethyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 50957271
1-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 55924257

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperidin-1-yl)propan-1-one (CID 5130333) is 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperidin-1-yl)propan-1-one is COc1ccccc1-c1noc(CCC(=O)N2CCC(C)CC2)n1.
What is the InChIKey of 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is BBLYOFKDQBITPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13-9-11-21(12-10-13)17(22)8-7-16-19-18(20-24-16)14-5-3-4-6-15(14)23-2/h3-6,13H,7-12H2,1-2H3.
What are the key properties of 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperidin-1-yl)propan-1-one?
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 329.40 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 5130333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).