2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide

C19H29N3O4 — CID 56900647

About 2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide

2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide (PubChem CID 56900647) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
• PubChem CID: 56900647
• Molecular Formula: C19H29N3O4
• Molecular Weight: 363.46 g/mol
• Exact Mass: 363.22
• IUPAC Name: 2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
• SMILES: CCOc1ccc(CN2CCNC(=O)C2CC(=O)NC(C)(C)CO)cc1
• InChI: InChI=1S/C19H29N3O4/c1-4-26-15-7-5-14(6-8-15)12-22-10-9-20-18(25)16(22)11-17(24)21-19(2,3)13-23/h5-8,16,23H,4,9-13H2,1-3H3,(H,20,25)(H,21,24)
• InChIKey: ACUFEGVHAWOEKV-UHFFFAOYSA-N
• XLogP: 0.66
• TPSA: 90.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.46
LogP ≤ 5	0.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide?

The IUPAC name of 2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide (CID 56900647) is 2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide.

What is the SMILES notation for 2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide?

The canonical SMILES for 2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide is CCOc1ccc(CN2CCNC(=O)C2CC(=O)NC(C)(C)CO)cc1.

What is the InChIKey of 2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide?

The InChIKey is ACUFEGVHAWOEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-4-26-15-7-5-14(6-8-15)12-22-10-9-20-18(25)16(22)11-17(24)21-19(2,3)13-23/h5-8,16,23H,4,9-13H2,1-3H3,(H,20,25)(H,21,24).

What are the key properties of 2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide?

2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide has a molecular weight of 363.46 g/mol, XLogP of 0.66, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide is sourced from PubChem (CID 56900647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).