N-(3,5-dimethoxyphenyl)-3-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]propanamide

C21H27N3O5 — CID 72934496

About N-(3,5-dimethoxyphenyl)-3-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]propanamide

N-(3,5-dimethoxyphenyl)-3-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]propanamide (PubChem CID 72934496) has the molecular formula C21H27N3O5 and a molecular weight of 401.46 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]propanamide.

Molecular Properties

• Compound Name: N-(3,5-dimethoxyphenyl)-3-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]propanamide
• PubChem CID: 72934496
• Molecular Formula: C21H27N3O5
• Molecular Weight: 401.46 g/mol
• Exact Mass: 401.20
• IUPAC Name: N-(3,5-dimethoxyphenyl)-3-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]propanamide
• SMILES: COc1cc(NC(=O)CCC2CCCN(C(=O)c3ncoc3C)C2)cc(OC)c1
• InChI: InChI=1S/C21H27N3O5/c1-14-20(22-13-29-14)21(26)24-8-4-5-15(12-24)6-7-19(25)23-16-9-17(27-2)11-18(10-16)28-3/h9-11,13,15H,4-8,12H2,1-3H3,(H,23,25)
• InChIKey: BWZNGLKIGVVRPR-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 93.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.46
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]propanamide?

The IUPAC name of N-(3,5-dimethoxyphenyl)-3-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]propanamide (CID 72934496) is N-(3,5-dimethoxyphenyl)-3-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]propanamide.

What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]propanamide?

The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]propanamide is COc1cc(NC(=O)CCC2CCCN(C(=O)c3ncoc3C)C2)cc(OC)c1.

What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]propanamide?

The InChIKey is BWZNGLKIGVVRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5/c1-14-20(22-13-29-14)21(26)24-8-4-5-15(12-24)6-7-19(25)23-16-9-17(27-2)11-18(10-16)28-3/h9-11,13,15H,4-8,12H2,1-3H3,(H,23,25).

What are the key properties of N-(3,5-dimethoxyphenyl)-3-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]propanamide?

N-(3,5-dimethoxyphenyl)-3-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]propanamide has a molecular weight of 401.46 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dimethoxyphenyl)-3-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 72934496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).