N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide

C21H25N3O5 — CID 25447624

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide (PubChem CID 25447624) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide
• PubChem CID: 25447624
• Molecular Formula: C21H25N3O5
• Molecular Weight: 399.45 g/mol
• Exact Mass: 399.18
• IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide
• SMILES: Cc1ncoc1C(=O)N1CCC(CCC(=O)Nc2ccc3c(c2)OCCO3)CC1
• InChI: InChI=1S/C21H25N3O5/c1-14-20(29-13-22-14)21(26)24-8-6-15(7-9-24)2-5-19(25)23-16-3-4-17-18(12-16)28-11-10-27-17/h3-4,12-13,15H,2,5-11H2,1H3,(H,23,25)
• InChIKey: BLBGUTLULSVZIO-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 93.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.45
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide?

The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide (CID 25447624) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide.

What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide?

The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide is Cc1ncoc1C(=O)N1CCC(CCC(=O)Nc2ccc3c(c2)OCCO3)CC1.

What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide?

The InChIKey is BLBGUTLULSVZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5/c1-14-20(29-13-22-14)21(26)24-8-6-15(7-9-24)2-5-19(25)23-16-3-4-17-18(12-16)28-11-10-27-17/h3-4,12-13,15H,2,5-11H2,1H3,(H,23,25).

What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide?

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 399.45 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 25447624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).