2-[4-[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide

C26H33FN4O4 — CID 30623100

About 2-[4-[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide

2-[4-[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 30623100) has the molecular formula C26H33FN4O4 and a molecular weight of 484.57 g/mol. Its IUPAC name is 2-[4-[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
• PubChem CID: 30623100
• Molecular Formula: C26H33FN4O4
• Molecular Weight: 484.57 g/mol
• Exact Mass: 484.25
• IUPAC Name: 2-[4-[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
• SMILES: COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1
• InChI: InChI=1S/C26H33FN4O4/c1-34-21-9-10-24(35-2)22(16-21)23-4-3-11-31(23)26(33)18-30-14-12-29(13-15-30)17-25(32)28-20-7-5-19(27)6-8-20/h5-10,16,23H,3-4,11-15,17-18H2,1-2H3,(H,28,32)/t23-/m0/s1
• InChIKey: MOODGISWMVQHGM-QHCPKHFHSA-N
• XLogP: 2.76
• TPSA: 74.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.57
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide?

The IUPAC name of 2-[4-[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide (CID 30623100) is 2-[4-[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide.

What is the SMILES notation for 2-[4-[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide?

The canonical SMILES for 2-[4-[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide is COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1.

What is the InChIKey of 2-[4-[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide?

The InChIKey is MOODGISWMVQHGM-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H33FN4O4/c1-34-21-9-10-24(35-2)22(16-21)23-4-3-11-31(23)26(33)18-30-14-12-29(13-15-30)17-25(32)28-20-7-5-19(27)6-8-20/h5-10,16,23H,3-4,11-15,17-18H2,1-2H3,(H,28,32)/t23-/m0/s1.

What are the key properties of 2-[4-[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide?

2-[4-[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 484.57 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 30623100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).