2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C24H30FN3O2 — CID 9168063

About 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 9168063) has the molecular formula C24H30FN3O2 and a molecular weight of 411.52 g/mol. Its IUPAC name is 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
• PubChem CID: 9168063
• Molecular Formula: C24H30FN3O2
• Molecular Weight: 411.52 g/mol
• Exact Mass: 411.23
• IUPAC Name: 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
• SMILES: COc1ccc(F)cc1CN1CCN(CC(=O)N[C@H]2CCCc3ccccc32)CC1
• InChI: InChI=1S/C24H30FN3O2/c1-30-23-10-9-20(25)15-19(23)16-27-11-13-28(14-12-27)17-24(29)26-22-8-4-6-18-5-2-3-7-21(18)22/h2-3,5,7,9-10,15,22H,4,6,8,11-14,16-17H2,1H3,(H,26,29)/t22-/m0/s1
• InChIKey: SFTAVORNGRRKIY-QFIPXVFZSA-N
• XLogP: 3.15
• TPSA: 44.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.52
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?

The IUPAC name of 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 9168063) is 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

What is the SMILES notation for 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?

The canonical SMILES for 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is COc1ccc(F)cc1CN1CCN(CC(=O)N[C@H]2CCCc3ccccc32)CC1.

What is the InChIKey of 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?

The InChIKey is SFTAVORNGRRKIY-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H30FN3O2/c1-30-23-10-9-20(25)15-19(23)16-27-11-13-28(14-12-27)17-24(29)26-22-8-4-6-18-5-2-3-7-21(18)22/h2-3,5,7,9-10,15,22H,4,6,8,11-14,16-17H2,1H3,(H,26,29)/t22-/m0/s1.

What are the key properties of 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?

2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 411.52 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 9168063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).