2-(1,3-benzodioxol-5-yl)-N-[(3R,4R)-4-hydroxy-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]acetamide

C18H22N4O5 — CID 166621989

About 2-(1,3-benzodioxol-5-yl)-N-[(3R,4R)-4-hydroxy-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]acetamide

2-(1,3-benzodioxol-5-yl)-N-[(3R,4R)-4-hydroxy-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]acetamide (PubChem CID 166621989) has the molecular formula C18H22N4O5 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-[(3R,4R)-4-hydroxy-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-(1,3-benzodioxol-5-yl)-N-[(3R,4R)-4-hydroxy-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]acetamide
• PubChem CID: 166621989
• Molecular Formula: C18H22N4O5
• Molecular Weight: 374.40 g/mol
• Exact Mass: 374.16
• IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[(3R,4R)-4-hydroxy-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]acetamide
• SMILES: Cc1nnc(CN2CC[C@@H](O)[C@H](NC(=O)Cc3ccc4c(c3)OCO4)C2)o1
• InChI: InChI=1S/C18H22N4O5/c1-11-20-21-18(27-11)9-22-5-4-14(23)13(8-22)19-17(24)7-12-2-3-15-16(6-12)26-10-25-15/h2-3,6,13-14,23H,4-5,7-10H2,1H3,(H,19,24)/t13-,14-/m1/s1
• InChIKey: PPZGBCCNJKHELH-ZIAGYGMSSA-N
• XLogP: 0.40
• TPSA: 109.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.40
LogP ≤ 5	0.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[(3R,4R)-4-hydroxy-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]acetamide (CID 166621989) is 2-(1,3-benzodioxol-5-yl)-N-[(3R,4R)-4-hydroxy-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]acetamide.

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

The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-[(3R,4R)-4-hydroxy-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]acetamide is Cc1nnc(CN2CC[C@@H](O)[C@H](NC(=O)Cc3ccc4c(c3)OCO4)C2)o1.

What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-[(3R,4R)-4-hydroxy-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]acetamide?

The InChIKey is PPZGBCCNJKHELH-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H22N4O5/c1-11-20-21-18(27-11)9-22-5-4-14(23)13(8-22)19-17(24)7-12-2-3-15-16(6-12)26-10-25-15/h2-3,6,13-14,23H,4-5,7-10H2,1H3,(H,19,24)/t13-,14-/m1/s1.

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

2-(1,3-benzodioxol-5-yl)-N-[(3R,4R)-4-hydroxy-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]acetamide has a molecular weight of 374.40 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-benzodioxol-5-yl)-N-[(3R,4R)-4-hydroxy-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 166621989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).