2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide

C22H28ClN3O4 — CID 36847416

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)CN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C22H28ClN3O4/c1-28-19-13-21(30-3)20(29-2)11-16(19)14-24-22(27)15-25-7-9-26(10-8-25)18-6-4-5-17(23)12-18/h4-6,11-13H,7-10,14-15H2,1-3H3,(H,24,27)
InChIKeyYXSJNYDBSHPCFI-UHFFFAOYSA-N
MW433.94 g/mol
LogP2.80
Rot. Bonds8

About 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide

2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 36847416) has the molecular formula C22H28ClN3O4 and a molecular weight of 433.94 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
PubChem CID36847416
Molecular FormulaC22H28ClN3O4
Molecular Weight433.94 g/mol
Exact Mass433.18
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)CN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C22H28ClN3O4/c1-28-19-13-21(30-3)20(29-2)11-16(19)14-24-22(27)15-25-7-9-26(10-8-25)18-6-4-5-17(23)12-18/h4-6,11-13H,7-10,14-15H2,1-3H3,(H,24,27)
InChIKeyYXSJNYDBSHPCFI-UHFFFAOYSA-N
XLogP2.80
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 8592411
2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 27156862
2-(4-methylpiperidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 8558421
2-[4-(3-chlorophenyl)piperazin-1-yl]acetohydrazide
CID 12578869
4-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27133567
N-[(2-chlorophenyl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34732047
2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 34932750
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 8529745
N-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 78787987
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 34132427
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 25333150
1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one
CID 60649957

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide (CID 36847416) is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide is COc1cc(OC)c(OC)cc1CNC(=O)CN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
The InChIKey is YXSJNYDBSHPCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O4/c1-28-19-13-21(30-3)20(29-2)11-16(19)14-24-22(27)15-25-7-9-26(10-8-25)18-6-4-5-17(23)12-18/h4-6,11-13H,7-10,14-15H2,1-3H3,(H,24,27).
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide has a molecular weight of 433.94 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 36847416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).