N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide

C23H31N3O4 — CID 74506073

About N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide (PubChem CID 74506073) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide
• PubChem CID: 74506073
• Molecular Formula: C23H31N3O4
• Molecular Weight: 413.52 g/mol
• Exact Mass: 413.23
• IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide
• SMILES: CCCCc1cc(CC2CNCCC2CC(=O)NCc2ccc3c(c2)OCO3)no1
• InChI: InChI=1S/C23H31N3O4/c1-2-3-4-20-12-19(26-30-20)10-18-14-24-8-7-17(18)11-23(27)25-13-16-5-6-21-22(9-16)29-15-28-21/h5-6,9,12,17-18,24H,2-4,7-8,10-11,13-15H2,1H3,(H,25,27)
• InChIKey: OOSVPDNXKKEUCB-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 85.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.52
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide?

The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide (CID 74506073) is N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide.

What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide?

The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide is CCCCc1cc(CC2CNCCC2CC(=O)NCc2ccc3c(c2)OCO3)no1.

What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide?

The InChIKey is OOSVPDNXKKEUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-2-3-4-20-12-19(26-30-20)10-18-14-24-8-7-17(18)11-23(27)25-13-16-5-6-21-22(9-16)29-15-28-21/h5-6,9,12,17-18,24H,2-4,7-8,10-11,13-15H2,1H3,(H,25,27).

What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide?

N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide has a molecular weight of 413.52 g/mol, XLogP of 3.22, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 74506073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).