2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide

C25H35N3O5 — CID 34932750

IUPAC2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCCOc1ccc(CN2CCN(CC(=O)NCc3cc(OC)c(OC)cc3OC)CC2)cc1
InChIInChI=1S/C25H35N3O5/c1-5-33-21-8-6-19(7-9-21)17-27-10-12-28(13-11-27)18-25(29)26-16-20-14-23(31-3)24(32-4)15-22(20)30-2/h6-9,14-15H,5,10-13,16-18H2,1-4H3,(H,26,29)
InChIKeyYWKJDEYGJWTJOB-UHFFFAOYSA-N
MW457.57 g/mol
LogP2.55
Rot. Bonds11

About 2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide

2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 34932750) has the molecular formula C25H35N3O5 and a molecular weight of 457.57 g/mol. Its IUPAC name is 2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
PubChem CID34932750
Molecular FormulaC25H35N3O5
Molecular Weight457.57 g/mol
Exact Mass457.26
IUPAC Name2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCCOc1ccc(CN2CCN(CC(=O)NCc3cc(OC)c(OC)cc3OC)CC2)cc1
InChIInChI=1S/C25H35N3O5/c1-5-33-21-8-6-19(7-9-21)17-27-10-12-28(13-11-27)18-25(29)26-16-20-14-23(31-3)24(32-4)15-22(20)30-2/h6-9,14-15H,5,10-13,16-18H2,1-4H3,(H,26,29)
InChIKeyYWKJDEYGJWTJOB-UHFFFAOYSA-N
XLogP2.55
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.57
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methylpiperidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 8558421
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 36847416
N-[2-(4-chlorophenoxy)ethyl]-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 35885849
2-(3-phenylpyrrolidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 60603605
N-(3,4-dimethoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130053
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8997277
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 8720971
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-propylpiperazin-1-yl)acetamide
CID 4788921
2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 9436194
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2,5-diethoxyphenyl)acetamide
CID 24566651
N-(2,4-dimethoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130137
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 30733019

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide (CID 34932750) is 2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide is CCOc1ccc(CN2CCN(CC(=O)NCc3cc(OC)c(OC)cc3OC)CC2)cc1.
What is the InChIKey of 2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
The InChIKey is YWKJDEYGJWTJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O5/c1-5-33-21-8-6-19(7-9-21)17-27-10-12-28(13-11-27)18-25(29)26-16-20-14-23(31-3)24(32-4)15-22(20)30-2/h6-9,14-15H,5,10-13,16-18H2,1-4H3,(H,26,29).
What are the key properties of 2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide has a molecular weight of 457.57 g/mol, XLogP of 2.55, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 34932750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).