[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone

C23H25N3O5 — CID 649283

IUPAC[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccc(-c2noc(C3CCCN(C(=O)c4ccccc4OC)C3)n2)cc1OC
InChIInChI=1S/C23H25N3O5/c1-28-18-9-5-4-8-17(18)23(27)26-12-6-7-16(14-26)22-24-21(25-31-22)15-10-11-19(29-2)20(13-15)30-3/h4-5,8-11,13,16H,6-7,12,14H2,1-3H3
InChIKeyAMBKIGWQVYQEBL-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.78
Rot. Bonds6

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

[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 649283) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is [3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
PubChem CID649283
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC Name[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccc(-c2noc(C3CCCN(C(=O)c4ccccc4OC)C3)n2)cc1OC
InChIInChI=1S/C23H25N3O5/c1-28-18-9-5-4-8-17(18)23(27)26-12-6-7-16(14-26)22-24-21(25-31-22)15-10-11-19(29-2)20(13-15)30-3/h4-5,8-11,13,16H,6-7,12,14H2,1-3H3
InChIKeyAMBKIGWQVYQEBL-UHFFFAOYSA-N
XLogP3.78
TPSA86.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone (CID 649283) is [3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone is COc1ccc(-c2noc(C3CCCN(C(=O)c4ccccc4OC)C3)n2)cc1OC.
What is the InChIKey of [3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone?
The InChIKey is AMBKIGWQVYQEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-28-18-9-5-4-8-17(18)23(27)26-12-6-7-16(14-26)22-24-21(25-31-22)15-10-11-19(29-2)20(13-15)30-3/h4-5,8-11,13,16H,6-7,12,14H2,1-3H3.
What are the key properties of [3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone?
[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 423.47 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 649283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).