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

C24H27N3O6 — CID 651590

IUPAC(2-methoxyphenyl)-[3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCCC(c2nc(-c3cc(OC)c(OC)c(OC)c3)no2)C1
InChIInChI=1S/C24H27N3O6/c1-29-18-10-6-5-9-17(18)24(28)27-11-7-8-15(14-27)23-25-22(26-33-23)16-12-19(30-2)21(32-4)20(13-16)31-3/h5-6,9-10,12-13,15H,7-8,11,14H2,1-4H3
InChIKeyZNKWEXKGDOYPQH-UHFFFAOYSA-N
MW453.50 g/mol
LogP3.79
Rot. Bonds7

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

(2-methoxyphenyl)-[3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (PubChem CID 651590) has the molecular formula C24H27N3O6 and a molecular weight of 453.50 g/mol. Its IUPAC name is (2-methoxyphenyl)-[3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
PubChem CID651590
Molecular FormulaC24H27N3O6
Molecular Weight453.50 g/mol
Exact Mass453.19
IUPAC Name(2-methoxyphenyl)-[3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCCC(c2nc(-c3cc(OC)c(OC)c(OC)c3)no2)C1
InChIInChI=1S/C24H27N3O6/c1-29-18-10-6-5-9-17(18)24(28)27-11-7-8-15(14-27)23-25-22(26-33-23)16-12-19(30-2)21(32-4)20(13-16)31-3/h5-6,9-10,12-13,15H,7-8,11,14H2,1-4H3
InChIKeyZNKWEXKGDOYPQH-UHFFFAOYSA-N
XLogP3.79
TPSA96.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-(2,4-Dimethoxyphenyl)-3-phenyl-1,2,4-oxadiazole
CID 893238
3-(3,4-Dimethoxybenzyl)-5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 645424
3-[(3-Methoxyphenyl)methyl]-5-(4-methoxy-2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole
CID 71585289
3-Benzyl-5-(4-methoxy-2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole
CID 89626569
(E)-2-(3-(3,4-dimethoxystyryl)-1,2,4-oxadiazol-5-yl)phenol
CID 135419174
(2,4-Dimethoxy-phenyl)-{3-[3-(3,4-dimethoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-methanone
CID 647341
{3-[3-(3,4-Dimethoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-(2-methoxy-phenyl)-methanone
CID 649283
1-[3-[3-(3-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylethanone
CID 649916
(4-Methoxy-phenyl)-{3-[3-(3,4,5-trimethoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-methanone
CID 650581
3-(2-Methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 666344
5-(3,5-Dimethoxyphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 666381
5-(3-Chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 666646

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (CID 651590) is (2-methoxyphenyl)-[3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is COc1ccccc1C(=O)N1CCCC(c2nc(-c3cc(OC)c(OC)c(OC)c3)no2)C1.
What is the InChIKey of (2-methoxyphenyl)-[3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is ZNKWEXKGDOYPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O6/c1-29-18-10-6-5-9-17(18)24(28)27-11-7-8-15(14-27)23-25-22(26-33-23)16-12-19(30-2)21(32-4)20(13-16)31-3/h5-6,9-10,12-13,15H,7-8,11,14H2,1-4H3.
What are the key properties of (2-methoxyphenyl)-[3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
(2-methoxyphenyl)-[3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 453.50 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 651590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).