N-[(1R)-1-(4-chlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide

C23H30ClN5O2 — CID 26953818

About N-[(1R)-1-(4-chlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide

N-[(1R)-1-(4-chlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide (PubChem CID 26953818) has the molecular formula C23H30ClN5O2 and a molecular weight of 443.98 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide.

Molecular Properties

• Compound Name: N-[(1R)-1-(4-chlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide
• PubChem CID: 26953818
• Molecular Formula: C23H30ClN5O2
• Molecular Weight: 443.98 g/mol
• Exact Mass: 443.21
• IUPAC Name: N-[(1R)-1-(4-chlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide
• SMILES: CC(=O)N[C@H](CC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1)c1ccc(Cl)cc1
• InChI: InChI=1S/C23H30ClN5O2/c1-15(2)23-25-16(3)13-21(27-23)28-9-11-29(12-10-28)22(31)14-20(26-17(4)30)18-5-7-19(24)8-6-18/h5-8,13,15,20H,9-12,14H2,1-4H3,(H,26,30)/t20-/m1/s1
• InChIKey: ACHJUWYKUWDGLE-HXUWFJFHSA-N
• XLogP: 3.48
• TPSA: 78.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.98
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide?

The IUPAC name of N-[(1R)-1-(4-chlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide (CID 26953818) is N-[(1R)-1-(4-chlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide.

What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide?

The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide is CC(=O)N[C@H](CC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1)c1ccc(Cl)cc1.

What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide?

The InChIKey is ACHJUWYKUWDGLE-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H30ClN5O2/c1-15(2)23-25-16(3)13-21(27-23)28-9-11-29(12-10-28)22(31)14-20(26-17(4)30)18-5-7-19(24)8-6-18/h5-8,13,15,20H,9-12,14H2,1-4H3,(H,26,30)/t20-/m1/s1.

What are the key properties of N-[(1R)-1-(4-chlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide?

N-[(1R)-1-(4-chlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide has a molecular weight of 443.98 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-(4-chlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide is sourced from PubChem (CID 26953818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).