2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone

C26H35ClN4O3 — CID 55830155

IUPAC2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(CN2CCN(C(=O)CN3CCN(CCOc4ccccc4Cl)CC3)CC2)cc1
InChIInChI=1S/C26H35ClN4O3/c1-33-23-8-6-22(7-9-23)20-29-14-16-31(17-15-29)26(32)21-30-12-10-28(11-13-30)18-19-34-25-5-3-2-4-24(25)27/h2-9H,10-21H2,1H3
InChIKeyXNSCHAFCZLXPKD-UHFFFAOYSA-N
MW487.04 g/mol
LogP2.69
Rot. Bonds9

About 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone

2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone (PubChem CID 55830155) has the molecular formula C26H35ClN4O3 and a molecular weight of 487.04 g/mol. Its IUPAC name is 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone
PubChem CID55830155
Molecular FormulaC26H35ClN4O3
Molecular Weight487.04 g/mol
Exact Mass486.24
IUPAC Name2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(CN2CCN(C(=O)CN3CCN(CCOc4ccccc4Cl)CC3)CC2)cc1
InChIInChI=1S/C26H35ClN4O3/c1-33-23-8-6-22(7-9-23)20-29-14-16-31(17-15-29)26(32)21-30-12-10-28(11-13-30)18-19-34-25-5-3-2-4-24(25)27/h2-9H,10-21H2,1H3
InChIKeyXNSCHAFCZLXPKD-UHFFFAOYSA-N
XLogP2.69
TPSA48.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.04
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 47014936
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 33323201
3-amino-1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119839360
2-[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 176882447
2-(2-chlorophenoxy)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
CID 55361413
1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
CID 55829978
2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 34932262
2-(4-benzyl-1,4-diazepan-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 46514228
1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 110398874
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-phenylmethanone
CID 78787888
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 35803451
1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone
CID 33323329

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone (CID 55830155) is 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone is COc1ccc(CN2CCN(C(=O)CN3CCN(CCOc4ccccc4Cl)CC3)CC2)cc1.
What is the InChIKey of 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone?
The InChIKey is XNSCHAFCZLXPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35ClN4O3/c1-33-23-8-6-22(7-9-23)20-29-14-16-31(17-15-29)26(32)21-30-12-10-28(11-13-30)18-19-34-25-5-3-2-4-24(25)27/h2-9H,10-21H2,1H3.
What are the key properties of 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone?
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone has a molecular weight of 487.04 g/mol, XLogP of 2.69, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 55830155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).