N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

C23H26N2O6 — CID 56577497

About N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (PubChem CID 56577497) has the molecular formula C23H26N2O6 and a molecular weight of 426.47 g/mol. Its IUPAC name is N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
• PubChem CID: 56577497
• Molecular Formula: C23H26N2O6
• Molecular Weight: 426.47 g/mol
• Exact Mass: 426.18
• IUPAC Name: N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
• SMILES: O=C(NCC(O)COc1ccc2c(c1)OCO2)C(c1ccccc1)N1CCCCC1=O
• InChI: InChI=1S/C23H26N2O6/c26-17(14-29-18-9-10-19-20(12-18)31-15-30-19)13-24-23(28)22(16-6-2-1-3-7-16)25-11-5-4-8-21(25)27/h1-3,6-7,9-10,12,17,22,26H,4-5,8,11,13-15H2,(H,24,28)
• InChIKey: VENPXJLYJGUQRK-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 97.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.47
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?

The IUPAC name of N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (CID 56577497) is N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.

What is the SMILES notation for N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?

The canonical SMILES for N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is O=C(NCC(O)COc1ccc2c(c1)OCO2)C(c1ccccc1)N1CCCCC1=O.

What is the InChIKey of N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?

The InChIKey is VENPXJLYJGUQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O6/c26-17(14-29-18-9-10-19-20(12-18)31-15-30-19)13-24-23(28)22(16-6-2-1-3-7-16)25-11-5-4-8-21(25)27/h1-3,6-7,9-10,12,17,22,26H,4-5,8,11,13-15H2,(H,24,28).

What are the key properties of N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?

N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide has a molecular weight of 426.47 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 56577497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).