2-[1-[(3,4-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(3-morpholin-4-ylpropyl)acetamide

C21H30F2N4O3 — CID 24792043

About 2-[1-[(3,4-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(3-morpholin-4-ylpropyl)acetamide

2-[1-[(3,4-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 24792043) has the molecular formula C21H30F2N4O3 and a molecular weight of 424.49 g/mol. Its IUPAC name is 2-[1-[(3,4-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

• Compound Name: 2-[1-[(3,4-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(3-morpholin-4-ylpropyl)acetamide
• PubChem CID: 24792043
• Molecular Formula: C21H30F2N4O3
• Molecular Weight: 424.49 g/mol
• Exact Mass: 424.23
• IUPAC Name: 2-[1-[(3,4-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(3-morpholin-4-ylpropyl)acetamide
• SMILES: CN(CCCN1CCOCC1)C(=O)CC1C(=O)NCCN1Cc1ccc(F)c(F)c1
• InChI: InChI=1S/C21H30F2N4O3/c1-25(6-2-7-26-9-11-30-12-10-26)20(28)14-19-21(29)24-5-8-27(19)15-16-3-4-17(22)18(23)13-16/h3-4,13,19H,2,5-12,14-15H2,1H3,(H,24,29)
• InChIKey: GWMBXRFKTLMDDH-UHFFFAOYSA-N
• XLogP: 0.84
• TPSA: 65.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.49
LogP ≤ 5	0.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,4-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(3-morpholin-4-ylpropyl)acetamide?

The IUPAC name of 2-[1-[(3,4-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(3-morpholin-4-ylpropyl)acetamide (CID 24792043) is 2-[1-[(3,4-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(3-morpholin-4-ylpropyl)acetamide.

What is the SMILES notation for 2-[1-[(3,4-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(3-morpholin-4-ylpropyl)acetamide?

The canonical SMILES for 2-[1-[(3,4-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(3-morpholin-4-ylpropyl)acetamide is CN(CCCN1CCOCC1)C(=O)CC1C(=O)NCCN1Cc1ccc(F)c(F)c1.

What is the InChIKey of 2-[1-[(3,4-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(3-morpholin-4-ylpropyl)acetamide?

The InChIKey is GWMBXRFKTLMDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30F2N4O3/c1-25(6-2-7-26-9-11-30-12-10-26)20(28)14-19-21(29)24-5-8-27(19)15-16-3-4-17(22)18(23)13-16/h3-4,13,19H,2,5-12,14-15H2,1H3,(H,24,29).

What are the key properties of 2-[1-[(3,4-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(3-morpholin-4-ylpropyl)acetamide?

2-[1-[(3,4-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 424.49 g/mol, XLogP of 0.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[(3,4-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 24792043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).