2-(2,4-dichlorophenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone

C21H22Cl2N2O2 — CID 1377323

IUPAC2-(2,4-dichlorophenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1Cl)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C21H22Cl2N2O2/c22-18-8-9-20(19(23)15-18)27-16-21(26)25-13-11-24(12-14-25)10-4-7-17-5-2-1-3-6-17/h1-9,15H,10-14,16H2/b7-4+
InChIKeyKFIPIVJBBIZMNX-QPJJXVBHSA-N
MW405.33 g/mol
LogP4.23
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone

2-(2,4-dichlorophenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone (PubChem CID 1377323) has the molecular formula C21H22Cl2N2O2 and a molecular weight of 405.33 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
PubChem CID1377323
Molecular FormulaC21H22Cl2N2O2
Molecular Weight405.33 g/mol
Exact Mass404.11
IUPAC Name2-(2,4-dichlorophenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1Cl)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C21H22Cl2N2O2/c22-18-8-9-20(19(23)15-18)27-16-21(26)25-13-11-24(12-14-25)10-4-7-17-5-2-1-3-6-17/h1-9,15H,10-14,16H2/b7-4+
InChIKeyKFIPIVJBBIZMNX-QPJJXVBHSA-N
XLogP4.23
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.33
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(2,4-dichlorophenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone (CID 1377323) is 2-(2,4-dichlorophenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone is O=C(COc1ccc(Cl)cc1Cl)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone?
The InChIKey is KFIPIVJBBIZMNX-QPJJXVBHSA-N. The full InChI is InChI=1S/C21H22Cl2N2O2/c22-18-8-9-20(19(23)15-18)27-16-21(26)25-13-11-24(12-14-25)10-4-7-17-5-2-1-3-6-17/h1-9,15H,10-14,16H2/b7-4+.
What are the key properties of 2-(2,4-dichlorophenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone?
2-(2,4-dichlorophenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone has a molecular weight of 405.33 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 1377323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).