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

C20H25N5O — CID 123995368

IUPACN-[(2-aminophenyl)methylideneamino]-2-(4-benzylpiperazin-1-yl)acetamide
SMILESNc1ccccc1C=NNC(=O)CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H25N5O/c21-19-9-5-4-8-18(19)14-22-23-20(26)16-25-12-10-24(11-13-25)15-17-6-2-1-3-7-17/h1-9,14H,10-13,15-16,21H2,(H,23,26)
InChIKeyILTWJVXIZAYHGT-UHFFFAOYSA-N
MW351.45 g/mol
LogP1.54
Rot. Bonds6

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

N-[(2-aminophenyl)methylideneamino]-2-(4-benzylpiperazin-1-yl)acetamide (PubChem CID 123995368) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[(2-aminophenyl)methylideneamino]-2-(4-benzylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methylideneamino]-2-(4-benzylpiperazin-1-yl)acetamide
PubChem CID123995368
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC NameN-[(2-aminophenyl)methylideneamino]-2-(4-benzylpiperazin-1-yl)acetamide
SMILESNc1ccccc1C=NNC(=O)CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H25N5O/c21-19-9-5-4-8-18(19)14-22-23-20(26)16-25-12-10-24(11-13-25)15-17-6-2-1-3-7-17/h1-9,14H,10-13,15-16,21H2,(H,23,26)
InChIKeyILTWJVXIZAYHGT-UHFFFAOYSA-N
XLogP1.54
TPSA73.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-[[2-(4-benzylpiperazin-1-yl)acetyl]hydrazinylidene]methyl]benzoic acid
CID 6865035
2-(4-benzylpiperazin-1-yl)-N-[(2-sulfanylphenyl)methylideneamino]acetamide
CID 137072839
2-(4-benzylpiperazin-1-yl)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide
CID 6885338
2-[2-[[[2-(4-benzylpiperazin-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 1185540
2-(4-benzylpiperazin-1-yl)-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
CID 6866404
2-(4-benzylpiperazin-1-yl)-N-[(E)-(2,3-dimethylphenyl)methylideneamino]acetamide
CID 138741424
2-(4-benzylpiperazin-1-yl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 6146827
2-(4-benzylpiperazin-1-yl)-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide
CID 135487283
2-(4-benzylpiperazin-1-yl)-N-[(Z)-(2-hydroxy-3-propylphenyl)methylideneamino]acetamide
CID 137013199
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(2-methylphenyl)methylideneamino]acetamide
CID 1383048
N-[(2-bromophenyl)methylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 1386479
N-[(E)-(2-bromophenyl)methylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 6865451

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methylideneamino]-2-(4-benzylpiperazin-1-yl)acetamide?
The IUPAC name of N-[(2-aminophenyl)methylideneamino]-2-(4-benzylpiperazin-1-yl)acetamide (CID 123995368) is N-[(2-aminophenyl)methylideneamino]-2-(4-benzylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(2-aminophenyl)methylideneamino]-2-(4-benzylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[(2-aminophenyl)methylideneamino]-2-(4-benzylpiperazin-1-yl)acetamide is Nc1ccccc1C=NNC(=O)CN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[(2-aminophenyl)methylideneamino]-2-(4-benzylpiperazin-1-yl)acetamide?
The InChIKey is ILTWJVXIZAYHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c21-19-9-5-4-8-18(19)14-22-23-20(26)16-25-12-10-24(11-13-25)15-17-6-2-1-3-7-17/h1-9,14H,10-13,15-16,21H2,(H,23,26).
What are the key properties of N-[(2-aminophenyl)methylideneamino]-2-(4-benzylpiperazin-1-yl)acetamide?
N-[(2-aminophenyl)methylideneamino]-2-(4-benzylpiperazin-1-yl)acetamide has a molecular weight of 351.45 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methylideneamino]-2-(4-benzylpiperazin-1-yl)acetamide is sourced from PubChem (CID 123995368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).