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

C21H23ClN2O2 — CID 1001000

IUPAC2-(4-chlorophenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C21H23ClN2O2/c22-19-8-10-20(11-9-19)26-17-21(25)24-15-13-23(14-16-24)12-4-7-18-5-2-1-3-6-18/h1-11H,12-17H2/b7-4+
InChIKeyCYWUXGITLJRRDK-QPJJXVBHSA-N
MW370.88 g/mol
LogP3.58
Rot. Bonds6

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

2-(4-chlorophenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone (PubChem CID 1001000) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
PubChem CID1001000
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name2-(4-chlorophenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C21H23ClN2O2/c22-19-8-10-20(11-9-19)26-17-21(25)24-15-13-23(14-16-24)12-4-7-18-5-2-1-3-6-18/h1-11H,12-17H2/b7-4+
InChIKeyCYWUXGITLJRRDK-QPJJXVBHSA-N
XLogP3.58
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-cyclohexyl-N-methylacetamide
CID 692216
N-benzyl-2-(4-chlorophenoxy)acetamide
CID 2791617
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 753655
2-(4-chloro-3-methylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 883742
(E)-3-{4-[(3-chlorobenzyl)oxy]phenyl}-1-morpholino-2-propen-1-one
CID 1491240
2-(2,4-dichlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 2557714
1-[(4-Chlorophenoxy)acetyl]-4-(phenylacetyl)piperazine
CID 1072066
1-[(4-Chloro-2-methylphenoxy)acetyl]-3,5-dimethylpiperidine
CID 2931607
1-[(4-Chlorophenoxy)acetyl]piperidine
CID 742653
1-(4-Benzylpiperazin-1-yl)-2-(4-chlorophenoxy)ethanone
CID 752941
1-[(4-Chloro-2-methylphenoxy)acetyl]-4-methylpiperazine
CID 774163
(R)-1-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-2-(4-chlorophenoxy)ethanone
CID 9999626

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone (CID 1001000) is 2-(4-chlorophenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone is O=C(COc1ccc(Cl)cc1)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone?
The InChIKey is CYWUXGITLJRRDK-QPJJXVBHSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c22-19-8-10-20(11-9-19)26-17-21(25)24-15-13-23(14-16-24)12-4-7-18-5-2-1-3-6-18/h1-11H,12-17H2/b7-4+.
What are the key properties of 2-(4-chlorophenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone?
2-(4-chlorophenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone has a molecular weight of 370.88 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 1001000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).