2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide

C22H28ClN3O3 — CID 55409417

IUPAC2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)CN2CCN(c3ccccc3Cl)CC2)c1
InChIInChI=1S/C22H28ClN3O3/c1-16(18-14-17(28-2)8-9-21(18)29-3)24-22(27)15-25-10-12-26(13-11-25)20-7-5-4-6-19(20)23/h4-9,14,16H,10-13,15H2,1-3H3,(H,24,27)
InChIKeySJEZQDWRTDLUIJ-UHFFFAOYSA-N
MW417.94 g/mol
LogP3.36
Rot. Bonds7

About 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide

2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide (PubChem CID 55409417) has the molecular formula C22H28ClN3O3 and a molecular weight of 417.94 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
PubChem CID55409417
Molecular FormulaC22H28ClN3O3
Molecular Weight417.94 g/mol
Exact Mass417.18
IUPAC Name2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)CN2CCN(c3ccccc3Cl)CC2)c1
InChIInChI=1S/C22H28ClN3O3/c1-16(18-14-17(28-2)8-9-21(18)29-3)24-22(27)15-25-10-12-26(13-11-25)20-7-5-4-6-19(20)23/h4-9,14,16H,10-13,15H2,1-3H3,(H,24,27)
InChIKeySJEZQDWRTDLUIJ-UHFFFAOYSA-N
XLogP3.36
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8595828
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8596439
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide
CID 8703505
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 60512330
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95311777
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 8687289
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 8704609
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 55353735
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 55412784
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 9017569
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 8754329
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 8687213

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide (CID 55409417) is 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide is COc1ccc(OC)c(C(C)NC(=O)CN2CCN(c3ccccc3Cl)CC2)c1.
What is the InChIKey of 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is SJEZQDWRTDLUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O3/c1-16(18-14-17(28-2)8-9-21(18)29-3)24-22(27)15-25-10-12-26(13-11-25)20-7-5-4-6-19(20)23/h4-9,14,16H,10-13,15H2,1-3H3,(H,24,27).
What are the key properties of 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide?
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 417.94 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 55409417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).