N-[2-(4-fluorophenyl)ethyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide

C22H30FN5O — CID 18094607

About N-[2-(4-fluorophenyl)ethyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide

N-[2-(4-fluorophenyl)ethyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide (PubChem CID 18094607) has the molecular formula C22H30FN5O and a molecular weight of 399.51 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-(4-fluorophenyl)ethyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
• PubChem CID: 18094607
• Molecular Formula: C22H30FN5O
• Molecular Weight: 399.51 g/mol
• Exact Mass: 399.24
• IUPAC Name: N-[2-(4-fluorophenyl)ethyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
• SMILES: Cc1cc(N2CCN(CC(=O)NCCc3ccc(F)cc3)CC2)nc(C(C)C)n1
• InChI: InChI=1S/C22H30FN5O/c1-16(2)22-25-17(3)14-20(26-22)28-12-10-27(11-13-28)15-21(29)24-9-8-18-4-6-19(23)7-5-18/h4-7,14,16H,8-13,15H2,1-3H3,(H,24,29)
• InChIKey: GPGIZXVWIIBUQQ-UHFFFAOYSA-N
• XLogP: 2.53
• TPSA: 61.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.51
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide?

The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide (CID 18094607) is N-[2-(4-fluorophenyl)ethyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide.

What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide?

The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide is Cc1cc(N2CCN(CC(=O)NCCc3ccc(F)cc3)CC2)nc(C(C)C)n1.

What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide?

The InChIKey is GPGIZXVWIIBUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN5O/c1-16(2)22-25-17(3)14-20(26-22)28-12-10-27(11-13-28)15-21(29)24-9-8-18-4-6-19(23)7-5-18/h4-7,14,16H,8-13,15H2,1-3H3,(H,24,29).

What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide?

N-[2-(4-fluorophenyl)ethyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide has a molecular weight of 399.51 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-fluorophenyl)ethyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 18094607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).