[2,6-dimethoxy-4-[(Z)-[[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetyl]hydrazinylidene]methyl]phenyl] acetate

C25H32N4O5 — CID 6008456

IUPAC[2,6-dimethoxy-4-[(Z)-[[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetyl]hydrazinylidene]methyl]phenyl] acetate
SMILESCOc1cc(/C=N\NC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)cc(OC)c1OC(C)=O
InChIInChI=1S/C25H32N4O5/c1-18-5-7-20(8-6-18)16-28-9-11-29(12-10-28)17-24(31)27-26-15-21-13-22(32-3)25(34-19(2)30)23(14-21)33-4/h5-8,13-15H,9-12,16-17H2,1-4H3,(H,27,31)/b26-15-
InChIKeyGSSVCKQFRKPBQI-YSMPRRRNSA-N
MW468.55 g/mol
LogP2.21
Rot. Bonds9

About [2,6-dimethoxy-4-[(Z)-[[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetyl]hydrazinylidene]methyl]phenyl] acetate

[2,6-dimethoxy-4-[(Z)-[[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetyl]hydrazinylidene]methyl]phenyl] acetate (PubChem CID 6008456) has the molecular formula C25H32N4O5 and a molecular weight of 468.55 g/mol. Its IUPAC name is [2,6-dimethoxy-4-[(Z)-[[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetyl]hydrazinylidene]methyl]phenyl] acetate.

Molecular Properties

Compound Name[2,6-dimethoxy-4-[(Z)-[[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetyl]hydrazinylidene]methyl]phenyl] acetate
PubChem CID6008456
Molecular FormulaC25H32N4O5
Molecular Weight468.55 g/mol
Exact Mass468.24
IUPAC Name[2,6-dimethoxy-4-[(Z)-[[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetyl]hydrazinylidene]methyl]phenyl] acetate
SMILESCOc1cc(/C=N\NC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)cc(OC)c1OC(C)=O
InChIInChI=1S/C25H32N4O5/c1-18-5-7-20(8-6-18)16-28-9-11-29(12-10-28)17-24(31)27-26-15-21-13-22(32-3)25(34-19(2)30)23(14-21)33-4/h5-8,13-15H,9-12,16-17H2,1-4H3,(H,27,31)/b26-15-
InChIKeyGSSVCKQFRKPBQI-YSMPRRRNSA-N
XLogP2.21
TPSA92.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 135538879
N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 3826307
N-[(4-tert-butylphenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 1390261
[2,6-dimethoxy-4-[(Z)-[(4-methylphenyl)hydrazinylidene]methyl]phenyl] acetate
CID 9059590
2-(4-benzylpiperazin-1-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3846849
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]acetamide
CID 3250628
2-(4-benzylpiperazin-1-yl)-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
CID 6866404
2-(4-benzylpiperazin-1-yl)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 3714192
[2,6-dimethoxy-4-[(Z)-[[2-(2-methoxyanilino)acetyl]hydrazinylidene]methyl]phenyl] acetate
CID 7933428
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6159492
N-[(E)-[4-(1,3-benzodioxol-5-ylmethoxy)-3-chloro-5-methoxyphenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 126005659
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 33073903

Frequently Asked Questions

What is the IUPAC name of [2,6-dimethoxy-4-[(Z)-[[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetyl]hydrazinylidene]methyl]phenyl] acetate?
The IUPAC name of [2,6-dimethoxy-4-[(Z)-[[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetyl]hydrazinylidene]methyl]phenyl] acetate (CID 6008456) is [2,6-dimethoxy-4-[(Z)-[[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetyl]hydrazinylidene]methyl]phenyl] acetate.
What is the SMILES notation for [2,6-dimethoxy-4-[(Z)-[[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetyl]hydrazinylidene]methyl]phenyl] acetate?
The canonical SMILES for [2,6-dimethoxy-4-[(Z)-[[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetyl]hydrazinylidene]methyl]phenyl] acetate is COc1cc(/C=N\NC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)cc(OC)c1OC(C)=O.
What is the InChIKey of [2,6-dimethoxy-4-[(Z)-[[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetyl]hydrazinylidene]methyl]phenyl] acetate?
The InChIKey is GSSVCKQFRKPBQI-YSMPRRRNSA-N. The full InChI is InChI=1S/C25H32N4O5/c1-18-5-7-20(8-6-18)16-28-9-11-29(12-10-28)17-24(31)27-26-15-21-13-22(32-3)25(34-19(2)30)23(14-21)33-4/h5-8,13-15H,9-12,16-17H2,1-4H3,(H,27,31)/b26-15-.
What are the key properties of [2,6-dimethoxy-4-[(Z)-[[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetyl]hydrazinylidene]methyl]phenyl] acetate?
[2,6-dimethoxy-4-[(Z)-[[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetyl]hydrazinylidene]methyl]phenyl] acetate has a molecular weight of 468.55 g/mol, XLogP of 2.21, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-dimethoxy-4-[(Z)-[[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetyl]hydrazinylidene]methyl]phenyl] acetate is sourced from PubChem (CID 6008456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).