[4-[3-(4-cyclohexylpiperazin-1-yl)prop-1-enyl]-2-methoxyphenyl] acetate

C22H32N2O3 — CID 4665142

IUPAC[4-[3-(4-cyclohexylpiperazin-1-yl)prop-1-enyl]-2-methoxyphenyl] acetate
SMILESCOc1cc(C=CCN2CCN(C3CCCCC3)CC2)ccc1OC(C)=O
InChIInChI=1S/C22H32N2O3/c1-18(25)27-21-11-10-19(17-22(21)26-2)7-6-12-23-13-15-24(16-14-23)20-8-4-3-5-9-20/h6-7,10-11,17,20H,3-5,8-9,12-16H2,1-2H3
InChIKeyWVZFYUYFYXFCTK-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.58
Rot. Bonds6

About [4-[3-(4-cyclohexylpiperazin-1-yl)prop-1-enyl]-2-methoxyphenyl] acetate

[4-[3-(4-cyclohexylpiperazin-1-yl)prop-1-enyl]-2-methoxyphenyl] acetate (PubChem CID 4665142) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is [4-[3-(4-cyclohexylpiperazin-1-yl)prop-1-enyl]-2-methoxyphenyl] acetate.

Molecular Properties

Compound Name[4-[3-(4-cyclohexylpiperazin-1-yl)prop-1-enyl]-2-methoxyphenyl] acetate
PubChem CID4665142
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name[4-[3-(4-cyclohexylpiperazin-1-yl)prop-1-enyl]-2-methoxyphenyl] acetate
SMILESCOc1cc(C=CCN2CCN(C3CCCCC3)CC2)ccc1OC(C)=O
InChIInChI=1S/C22H32N2O3/c1-18(25)27-21-11-10-19(17-22(21)26-2)7-6-12-23-13-15-24(16-14-23)20-8-4-3-5-9-20/h6-7,10-11,17,20H,3-5,8-9,12-16H2,1-2H3
InChIKeyWVZFYUYFYXFCTK-UHFFFAOYSA-N
XLogP3.58
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[3-(4-benzylpiperidin-1-yl)prop-1-enyl]-2-methoxyphenyl] acetate
CID 3462379
[4-[(Z)-3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]prop-1-enyl]-2-methoxyphenyl] acetate
CID 74228003
[4-[(Z)-3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-enyl]-2-methoxyphenyl] acetate
CID 74224118
[2-methoxy-4-[3-[4-(4-nitrophenyl)piperazin-1-yl]prop-1-enyl]phenyl] acetate
CID 3773528
3-(4-acetyloxy-3-methoxyphenyl)prop-2-enyl acetate
CID 613644
[4-[(Z)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]iminomethyl]-2-methoxyphenyl] acetate
CID 9012463
[4-[(E)-3-chloro-3-oxoprop-1-enyl]-2-methoxyphenyl] acetate
CID 10858041
(1S)-2-(4-cyclohexylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanol
CID 95104680
[4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]-2-methoxyphenyl] acetate
CID 5419986
[2-methoxy-4-[3-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]prop-1-enyl]phenyl] acetate
CID 3727595
[2-methoxy-4-[(E)-3-(3-methoxypyrrolidin-1-yl)-3-oxoprop-1-enyl]phenyl] acetate
CID 108754214
1-(4-cyclohexylpiperazin-1-yl)-4-(3,4-dimethoxyphenyl)butan-1-one
CID 18456269

Frequently Asked Questions

What is the IUPAC name of [4-[3-(4-cyclohexylpiperazin-1-yl)prop-1-enyl]-2-methoxyphenyl] acetate?
The IUPAC name of [4-[3-(4-cyclohexylpiperazin-1-yl)prop-1-enyl]-2-methoxyphenyl] acetate (CID 4665142) is [4-[3-(4-cyclohexylpiperazin-1-yl)prop-1-enyl]-2-methoxyphenyl] acetate.
What is the SMILES notation for [4-[3-(4-cyclohexylpiperazin-1-yl)prop-1-enyl]-2-methoxyphenyl] acetate?
The canonical SMILES for [4-[3-(4-cyclohexylpiperazin-1-yl)prop-1-enyl]-2-methoxyphenyl] acetate is COc1cc(C=CCN2CCN(C3CCCCC3)CC2)ccc1OC(C)=O.
What is the InChIKey of [4-[3-(4-cyclohexylpiperazin-1-yl)prop-1-enyl]-2-methoxyphenyl] acetate?
The InChIKey is WVZFYUYFYXFCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-18(25)27-21-11-10-19(17-22(21)26-2)7-6-12-23-13-15-24(16-14-23)20-8-4-3-5-9-20/h6-7,10-11,17,20H,3-5,8-9,12-16H2,1-2H3.
What are the key properties of [4-[3-(4-cyclohexylpiperazin-1-yl)prop-1-enyl]-2-methoxyphenyl] acetate?
[4-[3-(4-cyclohexylpiperazin-1-yl)prop-1-enyl]-2-methoxyphenyl] acetate has a molecular weight of 372.51 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(4-cyclohexylpiperazin-1-yl)prop-1-enyl]-2-methoxyphenyl] acetate is sourced from PubChem (CID 4665142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).