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

C20H27N3O4 — CID 174494901

IUPAC[4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCOc1ccc(Cc2noc(C3CCN(OC(=O)C(C)(C)C)CC3)n2)cc1
InChIInChI=1S/C20H27N3O4/c1-20(2,3)19(24)27-23-11-9-15(10-12-23)18-21-17(22-26-18)13-14-5-7-16(25-4)8-6-14/h5-8,15H,9-13H2,1-4H3
InChIKeySZXQRORAGTYDLZ-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.35
Rot. Bonds5

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

[4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174494901) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is [4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl] 2,2-dimethylpropanoate
PubChem CID174494901
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name[4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCOc1ccc(Cc2noc(C3CCN(OC(=O)C(C)(C)C)CC3)n2)cc1
InChIInChI=1S/C20H27N3O4/c1-20(2,3)19(24)27-23-11-9-15(10-12-23)18-21-17(22-26-18)13-14-5-7-16(25-4)8-6-14/h5-8,15H,9-13H2,1-4H3
InChIKeySZXQRORAGTYDLZ-UHFFFAOYSA-N
XLogP3.35
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl] 2,2-dimethylpropanoate (CID 174494901) is [4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl] 2,2-dimethylpropanoate is COc1ccc(Cc2noc(C3CCN(OC(=O)C(C)(C)C)CC3)n2)cc1.
What is the InChIKey of [4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is SZXQRORAGTYDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-20(2,3)19(24)27-23-11-9-15(10-12-23)18-21-17(22-26-18)13-14-5-7-16(25-4)8-6-14/h5-8,15H,9-13H2,1-4H3.
What are the key properties of [4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl] 2,2-dimethylpropanoate?
[4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 373.45 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174494901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).