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

C21H26N4O — CID 3714192

IUPAC2-(4-benzylpiperazin-1-yl)-N-[(3-methylphenyl)methylideneamino]acetamide
SMILESCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C21H26N4O/c1-18-6-5-9-20(14-18)15-22-23-21(26)17-25-12-10-24(11-13-25)16-19-7-3-2-4-8-19/h2-9,14-15H,10-13,16-17H2,1H3,(H,23,26)
InChIKeyWNLBFOQCEPFZJC-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.26
Rot. Bonds6

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

2-(4-benzylpiperazin-1-yl)-N-[(3-methylphenyl)methylideneamino]acetamide (PubChem CID 3714192) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-[(3-methylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-[(3-methylphenyl)methylideneamino]acetamide
PubChem CID3714192
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-[(3-methylphenyl)methylideneamino]acetamide
SMILESCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C21H26N4O/c1-18-6-5-9-20(14-18)15-22-23-21(26)17-25-12-10-24(11-13-25)16-19-7-3-2-4-8-19/h2-9,14-15H,10-13,16-17H2,1H3,(H,23,26)
InChIKeyWNLBFOQCEPFZJC-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
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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Related Compounds

2-(4-ethylpiperazin-1-yl)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide
CID 5331709
2-(azocan-1-yl)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide
CID 6894538
2-(4-benzylpiperazin-1-yl)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide
CID 6885338
2-(4-benzylpiperazin-1-yl)-N-[(E)-(2,3-dimethylphenyl)methylideneamino]acetamide
CID 138741424
2-(4-benzylpiperazin-1-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3846849
N-(benzylideneamino)-2-(4-ethylpiperazin-1-yl)acetamide
CID 791586
2-[(E)-[[2-(4-benzylpiperazin-1-yl)acetyl]hydrazinylidene]methyl]benzoic acid
CID 6865035
N-[(4-tert-butylphenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 1390261
N-[(2-aminophenyl)methylideneamino]-2-(4-benzylpiperazin-1-yl)acetamide
CID 123995368
2-(4-benzylpiperazin-1-yl)-N-[(2-sulfanylphenyl)methylideneamino]acetamide
CID 137072839
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-(4-methylphenyl)methylideneamino]acetamide
CID 6885049
2-(4-benzylpiperazin-1-yl)-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
CID 6866404

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[(3-methylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[(3-methylphenyl)methylideneamino]acetamide (CID 3714192) is 2-(4-benzylpiperazin-1-yl)-N-[(3-methylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-[(3-methylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-[(3-methylphenyl)methylideneamino]acetamide is Cc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-[(3-methylphenyl)methylideneamino]acetamide?
The InChIKey is WNLBFOQCEPFZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-18-6-5-9-20(14-18)15-22-23-21(26)17-25-12-10-24(11-13-25)16-19-7-3-2-4-8-19/h2-9,14-15H,10-13,16-17H2,1H3,(H,23,26).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-[(3-methylphenyl)methylideneamino]acetamide?
2-(4-benzylpiperazin-1-yl)-N-[(3-methylphenyl)methylideneamino]acetamide has a molecular weight of 350.47 g/mol, XLogP of 2.26, 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-[(3-methylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 3714192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).