2-(2-phenylmethoxyphenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone

C22H26N2O2 — CID 18456201

IUPAC2-(2-phenylmethoxyphenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone
SMILESC=CCN1CCN(C(=O)Cc2ccccc2OCc2ccccc2)CC1
InChIInChI=1S/C22H26N2O2/c1-2-12-23-13-15-24(16-14-23)22(25)17-20-10-6-7-11-21(20)26-18-19-8-4-3-5-9-19/h2-11H,1,12-18H2
InChIKeyYGDDNLXREWSNPR-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.14
Rot. Bonds7

About 2-(2-phenylmethoxyphenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone

2-(2-phenylmethoxyphenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone (PubChem CID 18456201) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-(2-phenylmethoxyphenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-phenylmethoxyphenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone
PubChem CID18456201
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name2-(2-phenylmethoxyphenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone
SMILESC=CCN1CCN(C(=O)Cc2ccccc2OCc2ccccc2)CC1
InChIInChI=1S/C22H26N2O2/c1-2-12-23-13-15-24(16-14-23)22(25)17-20-10-6-7-11-21(20)26-18-19-8-4-3-5-9-19/h2-11H,1,12-18H2
InChIKeyYGDDNLXREWSNPR-UHFFFAOYSA-N
XLogP3.14
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-1-(4-prop-2-enyl-1,4-diazepan-1-yl)ethanone
CID 95750020
2-(2-fluorophenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone
CID 6468034
1-(4-cyclohexylpiperazin-1-yl)-2-(2-phenylmethoxyphenyl)ethanone
CID 18456376
1-[4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]-2-(2-phenylmethoxyphenyl)ethanone
CID 157011084
1-[4-hydroxy-4-(hydroxymethyl)azepan-1-yl]-2-(2-phenylmethoxyphenyl)ethanone
CID 90651853
4-phenyl-1-(4-prop-2-enylpiperazin-1-yl)butan-1-one
CID 6468754
3-phenoxy-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one
CID 113072705
2-(3-aminophenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone
CID 65350257
4-methyl-9-[2-(2-phenylmethoxyphenyl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 138381768
2-(4-ethoxyphenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone
CID 6465047
4-[(2-prop-2-enylphenoxy)methyl]benzoic acid
CID 2252771
3-(2-aminophenyl)-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one
CID 107272971

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylmethoxyphenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2-phenylmethoxyphenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone (CID 18456201) is 2-(2-phenylmethoxyphenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2-phenylmethoxyphenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2-phenylmethoxyphenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone is C=CCN1CCN(C(=O)Cc2ccccc2OCc2ccccc2)CC1.
What is the InChIKey of 2-(2-phenylmethoxyphenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone?
The InChIKey is YGDDNLXREWSNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-2-12-23-13-15-24(16-14-23)22(25)17-20-10-6-7-11-21(20)26-18-19-8-4-3-5-9-19/h2-11H,1,12-18H2.
What are the key properties of 2-(2-phenylmethoxyphenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone?
2-(2-phenylmethoxyphenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone has a molecular weight of 350.46 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylmethoxyphenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone is sourced from PubChem (CID 18456201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).