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

C21H26N4O — CID 7460542

IUPAC2-(4-benzylpiperazin-1-yl)-N-[(E)-1-phenylethylideneamino]acetamide
SMILESC/C(=N\NC(=O)CN1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H26N4O/c1-18(20-10-6-3-7-11-20)22-23-21(26)17-25-14-12-24(13-15-25)16-19-8-4-2-5-9-19/h2-11H,12-17H2,1H3,(H,23,26)/b22-18+
InChIKeyYQNMPYWXABFYBW-RELWKKBWSA-N
MW350.47 g/mol
LogP2.34
Rot. Bonds6

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

2-(4-benzylpiperazin-1-yl)-N-[(E)-1-phenylethylideneamino]acetamide (PubChem CID 7460542) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-[(E)-1-phenylethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-[(E)-1-phenylethylideneamino]acetamide
PubChem CID7460542
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-[(E)-1-phenylethylideneamino]acetamide
SMILESC/C(=N\NC(=O)CN1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H26N4O/c1-18(20-10-6-3-7-11-20)22-23-21(26)17-25-14-12-24(13-15-25)16-19-8-4-2-5-9-19/h2-11H,12-17H2,1H3,(H,23,26)/b22-18+
InChIKeyYQNMPYWXABFYBW-RELWKKBWSA-N
XLogP2.34
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[(E)-1-phenylethylideneamino]acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[(E)-1-phenylethylideneamino]acetamide (CID 7460542) is 2-(4-benzylpiperazin-1-yl)-N-[(E)-1-phenylethylideneamino]acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-[(E)-1-phenylethylideneamino]acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-[(E)-1-phenylethylideneamino]acetamide is C/C(=N\NC(=O)CN1CCN(Cc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-[(E)-1-phenylethylideneamino]acetamide?
The InChIKey is YQNMPYWXABFYBW-RELWKKBWSA-N. The full InChI is InChI=1S/C21H26N4O/c1-18(20-10-6-3-7-11-20)22-23-21(26)17-25-14-12-24(13-15-25)16-19-8-4-2-5-9-19/h2-11H,12-17H2,1H3,(H,23,26)/b22-18+.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-[(E)-1-phenylethylideneamino]acetamide?
2-(4-benzylpiperazin-1-yl)-N-[(E)-1-phenylethylideneamino]acetamide has a molecular weight of 350.47 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-[(E)-1-phenylethylideneamino]acetamide is sourced from PubChem (CID 7460542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).