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

C19H29N3O5 — CID 95723144

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

2-[(2S)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide (PubChem CID 95723144) has the molecular formula C19H29N3O5 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-[(2S)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[(2S)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
• PubChem CID: 95723144
• Molecular Formula: C19H29N3O5
• Molecular Weight: 379.46 g/mol
• Exact Mass: 379.21
• IUPAC Name: 2-[(2S)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
• SMILES: COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NC(C)(C)CO)cc1OC
• InChI: InChI=1S/C19H29N3O5/c1-19(2,12-23)21-17(24)10-14-18(25)20-7-8-22(14)11-13-5-6-15(26-3)16(9-13)27-4/h5-6,9,14,23H,7-8,10-12H2,1-4H3,(H,20,25)(H,21,24)/t14-/m0/s1
• InChIKey: RPMACGZURIOYQR-AWEZNQCLSA-N
• XLogP: 0.28
• TPSA: 100.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.46
LogP ≤ 5	0.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[(2S)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide (CID 95723144) is 2-[(2S)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide.

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

The canonical SMILES for 2-[(2S)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide is COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NC(C)(C)CO)cc1OC.

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

The InChIKey is RPMACGZURIOYQR-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H29N3O5/c1-19(2,12-23)21-17(24)10-14-18(25)20-7-8-22(14)11-13-5-6-15(26-3)16(9-13)27-4/h5-6,9,14,23H,7-8,10-12H2,1-4H3,(H,20,25)(H,21,24)/t14-/m0/s1.

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

2-[(2S)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide has a molecular weight of 379.46 g/mol, XLogP of 0.28, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide is sourced from PubChem (CID 95723144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).