N-[(3,4-dimethoxyphenyl)methyl]-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide

C24H33N3O4 — CID 8997277

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(C)cc1CN1CCN(CC(=O)NCc2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C24H33N3O4/c1-18-5-7-21(29-2)20(13-18)16-26-9-11-27(12-10-26)17-24(28)25-15-19-6-8-22(30-3)23(14-19)31-4/h5-8,13-14H,9-12,15-17H2,1-4H3,(H,25,28)
InChIKeyRGMYPWSDZPTQBB-UHFFFAOYSA-N
MW427.55 g/mol
LogP2.45
Rot. Bonds9

About N-[(3,4-dimethoxyphenyl)methyl]-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide

N-[(3,4-dimethoxyphenyl)methyl]-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 8997277) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide
PubChem CID8997277
Molecular FormulaC24H33N3O4
Molecular Weight427.55 g/mol
Exact Mass427.25
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(C)cc1CN1CCN(CC(=O)NCc2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C24H33N3O4/c1-18-5-7-21(29-2)20(13-18)16-26-9-11-27(12-10-26)17-24(28)25-15-19-6-8-22(30-3)23(14-19)31-4/h5-8,13-14H,9-12,15-17H2,1-4H3,(H,25,28)
InChIKeyRGMYPWSDZPTQBB-UHFFFAOYSA-N
XLogP2.45
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 8997331
2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 9436194
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-propylpiperazin-1-yl)acetamide
CID 4788921
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 8720971
N-(4-acetamidophenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8997168
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 33073903
2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 8997912
2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide
CID 8997587
N-(4-fluorophenyl)-2-[[2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]acetamide
CID 8997571
2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 8997907
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 18078469
2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-(2-phenylsulfanylethyl)acetamide
CID 8997761

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide (CID 8997277) is N-[(3,4-dimethoxyphenyl)methyl]-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide is COc1ccc(C)cc1CN1CCN(CC(=O)NCc2ccc(OC)c(OC)c2)CC1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is RGMYPWSDZPTQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-18-5-7-21(29-2)20(13-18)16-26-9-11-27(12-10-26)17-24(28)25-15-19-6-8-22(30-3)23(14-19)31-4/h5-8,13-14H,9-12,15-17H2,1-4H3,(H,25,28).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 427.55 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 8997277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).