2-[(2S)-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-phenoxyphenyl)acetamide

C26H33N5O5 — CID 51627306

About 2-[(2S)-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-phenoxyphenyl)acetamide

2-[(2S)-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-phenoxyphenyl)acetamide (PubChem CID 51627306) has the molecular formula C26H33N5O5 and a molecular weight of 495.58 g/mol. Its IUPAC name is 2-[(2S)-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(2S)-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-phenoxyphenyl)acetamide
• PubChem CID: 51627306
• Molecular Formula: C26H33N5O5
• Molecular Weight: 495.58 g/mol
• Exact Mass: 495.25
• IUPAC Name: 2-[(2S)-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-phenoxyphenyl)acetamide
• SMILES: O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(CCO)CC1)Nc1ccc(Oc2ccccc2)cc1
• InChI: InChI=1S/C26H33N5O5/c32-17-16-29-12-14-30(15-13-29)19-25(34)31-11-10-27-26(35)23(31)18-24(33)28-20-6-8-22(9-7-20)36-21-4-2-1-3-5-21/h1-9,23,32H,10-19H2,(H,27,35)(H,28,33)/t23-/m0/s1
• InChIKey: XHOAWYMFXHQDSS-QHCPKHFHSA-N
• XLogP: 0.74
• TPSA: 114.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.58
LogP ≤ 5	0.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-phenoxyphenyl)acetamide?

The IUPAC name of 2-[(2S)-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-phenoxyphenyl)acetamide (CID 51627306) is 2-[(2S)-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-phenoxyphenyl)acetamide.

What is the SMILES notation for 2-[(2S)-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-phenoxyphenyl)acetamide?

The canonical SMILES for 2-[(2S)-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-phenoxyphenyl)acetamide is O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(CCO)CC1)Nc1ccc(Oc2ccccc2)cc1.

What is the InChIKey of 2-[(2S)-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-phenoxyphenyl)acetamide?

The InChIKey is XHOAWYMFXHQDSS-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H33N5O5/c32-17-16-29-12-14-30(15-13-29)19-25(34)31-11-10-27-26(35)23(31)18-24(33)28-20-6-8-22(9-7-20)36-21-4-2-1-3-5-21/h1-9,23,32H,10-19H2,(H,27,35)(H,28,33)/t23-/m0/s1.

What are the key properties of 2-[(2S)-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-phenoxyphenyl)acetamide?

2-[(2S)-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-phenoxyphenyl)acetamide has a molecular weight of 495.58 g/mol, XLogP of 0.74, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S)-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 51627306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).