2-(4-benzylpiperazin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide

C21H26N4O2 — CID 6884840

IUPAC2-(4-benzylpiperazin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N4O2/c1-27-20-9-7-18(8-10-20)15-22-23-21(26)17-25-13-11-24(12-14-25)16-19-5-3-2-4-6-19/h2-10,15H,11-14,16-17H2,1H3,(H,23,26)/b22-15+
InChIKeyQQIVBXRWKHVREW-PXLXIMEGSA-N
MW366.47 g/mol
LogP1.96
Rot. Bonds7

About 2-(4-benzylpiperazin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide

2-(4-benzylpiperazin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide (PubChem CID 6884840) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
PubChem CID6884840
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N4O2/c1-27-20-9-7-18(8-10-20)15-22-23-21(26)17-25-13-11-24(12-14-25)16-19-5-3-2-4-6-19/h2-10,15H,11-14,16-17H2,1H3,(H,23,26)/b22-15+
InChIKeyQQIVBXRWKHVREW-PXLXIMEGSA-N
XLogP1.96
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-2-(4-benzylpiperazin-1-yl)-N'-(2-hydroxybenzylidene)acetohydrazide
CID 135501892
Azepan-1-yl-oxo-acetic acid (4-methoxy-benzylidene)-hydrazide
CID 9593486
2-(4-Benzyl-1-piperazinyl)N'-(3-(2-methoxyphenyl)-2-propenylidene)acetohydrazide
CID 9633594
N'-(3,4-diethoxybenzylidene)-2-(1-piperidinyl)acetohydrazide
CID 6871734
4-benzyl-N-(4-ethoxybenzylidene)-1-piperazinamine
CID 5342850
4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one
CID 56946195
4-[4-[(2S)-2-methyl-3-piperidin-1-ylpropoxy]phenyl]-1H-pyridazin-6-one
CID 59651911
4-[4-[(2R)-2-methyl-3-piperidin-1-ylpropoxy]phenyl]-1H-pyridazin-6-one
CID 59651998
N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 135873631
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135908726
2-(4-Benzyl-1-piperazinyl)-N'-(3-bromo-4-methoxybenzylidene)acetohydrazide
CID 6867210
2-(4-Benzyl-1-piperazinyl)-N'-(4-ethoxybenzylidene)acetohydrazide
CID 9638193

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide (CID 6884840) is 2-(4-benzylpiperazin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide is COc1ccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is QQIVBXRWKHVREW-PXLXIMEGSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-27-20-9-7-18(8-10-20)15-22-23-21(26)17-25-13-11-24(12-14-25)16-19-5-3-2-4-6-19/h2-10,15H,11-14,16-17H2,1H3,(H,23,26)/b22-15+.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide?
2-(4-benzylpiperazin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 366.47 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 6884840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).