(2,6-dimethoxyphenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;(3Z)-2-methyl-5-methylidenehepta-1,3-diene

C26H35N3O4 — CID 143347302

About (2,6-dimethoxyphenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;(3Z)-2-methyl-5-methylidenehepta-1,3-diene

(2,6-dimethoxyphenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;(3Z)-2-methyl-5-methylidenehepta-1,3-diene (PubChem CID 143347302) has the molecular formula C26H35N3O4 and a molecular weight of 453.58 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;(3Z)-2-methyl-5-methylidenehepta-1,3-diene.

Molecular Properties

• Compound Name: (2,6-dimethoxyphenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;(3Z)-2-methyl-5-methylidenehepta-1,3-diene
• PubChem CID: 143347302
• Molecular Formula: C26H35N3O4
• Molecular Weight: 453.58 g/mol
• Exact Mass: 453.26
• IUPAC Name: (2,6-dimethoxyphenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;(3Z)-2-methyl-5-methylidenehepta-1,3-diene
• SMILES: C=C(C)/C=C\C(=C)CC.COc1cccc(OC)c1C(=O)N1CCC(c2nc(C)no2)CC1
• InChI: InChI=1S/C17H21N3O4.C9H14/c1-11-18-16(24-19-11)12-7-9-20(10-8-12)17(21)15-13(22-2)5-4-6-14(15)23-3;1-5-9(4)7-6-8(2)3/h4-6,12H,7-10H2,1-3H3;6-7H,2,4-5H2,1,3H3/b;7-6-
• InChIKey: LDHDNTUPMRRTIR-VDXOJYAPSA-N
• XLogP: 5.50
• TPSA: 77.69 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.58
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;(3Z)-2-methyl-5-methylidenehepta-1,3-diene?

The IUPAC name of (2,6-dimethoxyphenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;(3Z)-2-methyl-5-methylidenehepta-1,3-diene (CID 143347302) is (2,6-dimethoxyphenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;(3Z)-2-methyl-5-methylidenehepta-1,3-diene.

What is the SMILES notation for (2,6-dimethoxyphenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;(3Z)-2-methyl-5-methylidenehepta-1,3-diene?

The canonical SMILES for (2,6-dimethoxyphenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;(3Z)-2-methyl-5-methylidenehepta-1,3-diene is C=C(C)/C=C\C(=C)CC.COc1cccc(OC)c1C(=O)N1CCC(c2nc(C)no2)CC1.

What is the InChIKey of (2,6-dimethoxyphenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;(3Z)-2-methyl-5-methylidenehepta-1,3-diene?

The InChIKey is LDHDNTUPMRRTIR-VDXOJYAPSA-N. The full InChI is InChI=1S/C17H21N3O4.C9H14/c1-11-18-16(24-19-11)12-7-9-20(10-8-12)17(21)15-13(22-2)5-4-6-14(15)23-3;1-5-9(4)7-6-8(2)3/h4-6,12H,7-10H2,1-3H3;6-7H,2,4-5H2,1,3H3/b;7-6-.

What are the key properties of (2,6-dimethoxyphenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;(3Z)-2-methyl-5-methylidenehepta-1,3-diene?

(2,6-dimethoxyphenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;(3Z)-2-methyl-5-methylidenehepta-1,3-diene has a molecular weight of 453.58 g/mol, XLogP of 5.50, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2,6-dimethoxyphenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;(3Z)-2-methyl-5-methylidenehepta-1,3-diene is sourced from PubChem (CID 143347302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).