N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide

C23H30N4O2 — CID 6384713

IUPACN-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(/C(C)=N\NC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C23H30N4O2/c1-18-4-6-20(7-5-18)16-26-12-14-27(15-13-26)17-23(28)25-24-19(2)21-8-10-22(29-3)11-9-21/h4-11H,12-17H2,1-3H3,(H,25,28)/b24-19-
InChIKeyUYNYEXSCXFMTHY-CLCOLTQESA-N
MW394.52 g/mol
LogP2.66
Rot. Bonds7

About N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide

N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 6384713) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
PubChem CID6384713
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(/C(C)=N\NC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C23H30N4O2/c1-18-4-6-20(7-5-18)16-26-12-14-27(15-13-26)17-23(28)25-24-19(2)21-8-10-22(29-3)11-9-21/h4-11H,12-17H2,1-3H3,(H,25,28)/b24-19-
InChIKeyUYNYEXSCXFMTHY-CLCOLTQESA-N
XLogP2.66
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.66
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

2-(4-benzylpiperazin-1-yl)-N-[1-(3-methoxyphenyl)ethylideneamino]acetamide
CID 4162502
4-[(4-benzylpiperazin-1-yl)methyl]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 92662299
N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9129962
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 9130486
N-[1-(4-ethylphenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 4247577
N-[1-(3-methoxyphenyl)ethylideneamino]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 1388948
2-(4-benzylpiperazin-1-yl)-N-(1-pyridin-3-ylethylideneamino)acetamide
CID 1185544
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 135538879
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 9130348
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 9130410
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 3508048
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 9130407

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide (CID 6384713) is N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide is COc1ccc(/C(C)=N\NC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)cc1.
What is the InChIKey of N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is UYNYEXSCXFMTHY-CLCOLTQESA-N. The full InChI is InChI=1S/C23H30N4O2/c1-18-4-6-20(7-5-18)16-26-12-14-27(15-13-26)17-23(28)25-24-19(2)21-8-10-22(29-3)11-9-21/h4-11H,12-17H2,1-3H3,(H,25,28)/b24-19-.
What are the key properties of N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide?
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 394.52 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 6384713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).