N-(4-acetamidophenyl)-2-[(2R)-1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide

C26H31ClN6O4 — CID 93488613

About N-(4-acetamidophenyl)-2-[(2R)-1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide

N-(4-acetamidophenyl)-2-[(2R)-1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide (PubChem CID 93488613) has the molecular formula C26H31ClN6O4 and a molecular weight of 527.03 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[(2R)-1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-acetamidophenyl)-2-[(2R)-1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
• PubChem CID: 93488613
• Molecular Formula: C26H31ClN6O4
• Molecular Weight: 527.03 g/mol
• Exact Mass: 526.21
• IUPAC Name: N-(4-acetamidophenyl)-2-[(2R)-1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
• SMILES: CC(=O)Nc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1
• InChI: InChI=1S/C26H31ClN6O4/c1-18(34)29-20-4-6-21(7-5-20)30-24(35)16-23-26(37)28-10-11-33(23)25(36)17-31-12-14-32(15-13-31)22-8-2-19(27)3-9-22/h2-9,23H,10-17H2,1H3,(H,28,37)(H,29,34)(H,30,35)/t23-/m1/s1
• InChIKey: KPSNSENMSBKCPP-HSZRJFAPSA-N
• XLogP: 1.78
• TPSA: 114.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.03
LogP ≤ 5	1.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[(2R)-1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide?

The IUPAC name of N-(4-acetamidophenyl)-2-[(2R)-1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide (CID 93488613) is N-(4-acetamidophenyl)-2-[(2R)-1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide.

What is the SMILES notation for N-(4-acetamidophenyl)-2-[(2R)-1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide?

The canonical SMILES for N-(4-acetamidophenyl)-2-[(2R)-1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide is CC(=O)Nc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1.

What is the InChIKey of N-(4-acetamidophenyl)-2-[(2R)-1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide?

The InChIKey is KPSNSENMSBKCPP-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H31ClN6O4/c1-18(34)29-20-4-6-21(7-5-20)30-24(35)16-23-26(37)28-10-11-33(23)25(36)17-31-12-14-32(15-13-31)22-8-2-19(27)3-9-22/h2-9,23H,10-17H2,1H3,(H,28,37)(H,29,34)(H,30,35)/t23-/m1/s1.

What are the key properties of N-(4-acetamidophenyl)-2-[(2R)-1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide?

N-(4-acetamidophenyl)-2-[(2R)-1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide has a molecular weight of 527.03 g/mol, XLogP of 1.78, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-acetamidophenyl)-2-[(2R)-1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 93488613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).