2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide

C21H25Cl2N3O — CID 22195654

IUPAC2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(CN1CCN(Cc2c(Cl)cccc2Cl)CC1)NCCc1ccccc1
InChIInChI=1S/C21H25Cl2N3O/c22-19-7-4-8-20(23)18(19)15-25-11-13-26(14-12-25)16-21(27)24-10-9-17-5-2-1-3-6-17/h1-8H,9-16H2,(H,24,27)
InChIKeyOONNZWVQDVAALJ-UHFFFAOYSA-N
MW406.36 g/mol
LogP3.47
Rot. Bonds7

About 2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide

2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide (PubChem CID 22195654) has the molecular formula C21H25Cl2N3O and a molecular weight of 406.36 g/mol. Its IUPAC name is 2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
PubChem CID22195654
Molecular FormulaC21H25Cl2N3O
Molecular Weight406.36 g/mol
Exact Mass405.14
IUPAC Name2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(CN1CCN(Cc2c(Cl)cccc2Cl)CC1)NCCc1ccccc1
InChIInChI=1S/C21H25Cl2N3O/c22-19-7-4-8-20(23)18(19)15-25-11-13-26(14-12-25)16-21(27)24-10-9-17-5-2-1-3-6-17/h1-8H,9-16H2,(H,24,27)
InChIKeyOONNZWVQDVAALJ-UHFFFAOYSA-N
XLogP3.47
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 17383605
2-[4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 86895377
2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 9257577
2-(4-benzylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 109000996
2-(4-benzylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide
CID 2697466
2-(4-benzylpiperazin-1-yl)-N-[2-(methylamino)ethyl]acetamide
CID 119500637
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 2903396
2-(4-benzylsulfonylpiperazin-1-yl)-N-[2-(2,3-dichlorophenyl)ethyl]acetamide
CID 60501288
2-(4-benzylpiperazin-1-yl)-N-[2-(ethylamino)ethyl]acetamide
CID 119505382
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 30653596
2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-[1-(4-propylphenyl)ethyl]acetamide
CID 17148718
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide (CID 22195654) is 2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide is O=C(CN1CCN(Cc2c(Cl)cccc2Cl)CC1)NCCc1ccccc1.
What is the InChIKey of 2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is OONNZWVQDVAALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3O/c22-19-7-4-8-20(23)18(19)15-25-11-13-26(14-12-25)16-21(27)24-10-9-17-5-2-1-3-6-17/h1-8H,9-16H2,(H,24,27).
What are the key properties of 2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide?
2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 406.36 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 22195654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).