2-[1-[2-(4-benzylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide

C26H33N5O3 — CID 16653918

IUPAC2-[1-[2-(4-benzylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CC2C(=O)NCCN2C(=O)CN2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C26H33N5O3/c1-20-7-9-22(10-8-20)28-24(32)17-23-26(34)27-11-12-31(23)25(33)19-30-15-13-29(14-16-30)18-21-5-3-2-4-6-21/h2-10,23H,11-19H2,1H3,(H,27,34)(H,28,32)
InChIKeyHIAUBUNDTOVWDE-UHFFFAOYSA-N
MW463.58 g/mol
LogP1.47
Rot. Bonds7

About 2-[1-[2-(4-benzylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide

2-[1-[2-(4-benzylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide (PubChem CID 16653918) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is 2-[1-[2-(4-benzylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-[2-(4-benzylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide
PubChem CID16653918
Molecular FormulaC26H33N5O3
Molecular Weight463.58 g/mol
Exact Mass463.26
IUPAC Name2-[1-[2-(4-benzylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CC2C(=O)NCCN2C(=O)CN2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C26H33N5O3/c1-20-7-9-22(10-8-20)28-24(32)17-23-26(34)27-11-12-31(23)25(33)19-30-15-13-29(14-16-30)18-21-5-3-2-4-6-21/h2-10,23H,11-19H2,1H3,(H,27,34)(H,28,32)
InChIKeyHIAUBUNDTOVWDE-UHFFFAOYSA-N
XLogP1.47
TPSA84.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-1-[2-(4-benzylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(3-methylphenyl)acetamide
CID 28628875
2-[(2S)-1-[2-(4-benzylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(3-methylphenyl)acetamide
CID 28628872
2-[(2S)-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide
CID 29104282
2-[(2R)-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-phenylacetamide
CID 51625364
N-(4-ethylphenyl)-2-[1-[2-(4-formylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]acetamide
CID 16653833
N-(4-bromophenyl)-2-[3-oxo-1-[2-(4-phenylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide
CID 16653835
2-[(2R)-1-[2-(4-benzylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 30468436
N-(4-chlorophenyl)-2-[(2S)-1-[2-(4-formylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]acetamide
CID 29111514
N-(4-fluorophenyl)-2-[(2R)-1-[2-(4-methylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]acetamide
CID 29044636
N-(4-fluorophenyl)-2-[1-[2-(4-methylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]acetamide
CID 17039233
2-[(2R)-1-[2-(4-ethylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(4-fluorophenyl)acetamide
CID 29111560
2-[(2S)-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-phenoxyphenyl)acetamide
CID 51627306

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-benzylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[1-[2-(4-benzylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide (CID 16653918) is 2-[1-[2-(4-benzylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[1-[2-(4-benzylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[1-[2-(4-benzylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CC2C(=O)NCCN2C(=O)CN2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 2-[1-[2-(4-benzylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is HIAUBUNDTOVWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-20-7-9-22(10-8-20)28-24(32)17-23-26(34)27-11-12-31(23)25(33)19-30-15-13-29(14-16-30)18-21-5-3-2-4-6-21/h2-10,23H,11-19H2,1H3,(H,27,34)(H,28,32).
What are the key properties of 2-[1-[2-(4-benzylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide?
2-[1-[2-(4-benzylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 463.58 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-benzylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 16653918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).