1-(4-propan-2-yloxyphenyl)-2-(4-prop-2-enylpiperazin-1-yl)ethanone

C18H26N2O2 — CID 118238777

IUPAC1-(4-propan-2-yloxyphenyl)-2-(4-prop-2-enylpiperazin-1-yl)ethanone
SMILESC=CCN1CCN(CC(=O)c2ccc(OC(C)C)cc2)CC1
InChIInChI=1S/C18H26N2O2/c1-4-9-19-10-12-20(13-11-19)14-18(21)16-5-7-17(8-6-16)22-15(2)3/h4-8,15H,1,9-14H2,2-3H3
InChIKeyKZYUPECQCLDIQH-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.46
Rot. Bonds7

About 1-(4-propan-2-yloxyphenyl)-2-(4-prop-2-enylpiperazin-1-yl)ethanone

1-(4-propan-2-yloxyphenyl)-2-(4-prop-2-enylpiperazin-1-yl)ethanone (PubChem CID 118238777) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-(4-propan-2-yloxyphenyl)-2-(4-prop-2-enylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-propan-2-yloxyphenyl)-2-(4-prop-2-enylpiperazin-1-yl)ethanone
PubChem CID118238777
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-(4-propan-2-yloxyphenyl)-2-(4-prop-2-enylpiperazin-1-yl)ethanone
SMILESC=CCN1CCN(CC(=O)c2ccc(OC(C)C)cc2)CC1
InChIInChI=1S/C18H26N2O2/c1-4-9-19-10-12-20(13-11-19)14-18(21)16-5-7-17(8-6-16)22-15(2)3/h4-8,15H,1,9-14H2,2-3H3
InChIKeyKZYUPECQCLDIQH-UHFFFAOYSA-N
XLogP2.46
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yloxyphenyl)-2-(4-prop-2-enylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(4-propan-2-yloxyphenyl)-2-(4-prop-2-enylpiperazin-1-yl)ethanone (CID 118238777) is 1-(4-propan-2-yloxyphenyl)-2-(4-prop-2-enylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(4-propan-2-yloxyphenyl)-2-(4-prop-2-enylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(4-propan-2-yloxyphenyl)-2-(4-prop-2-enylpiperazin-1-yl)ethanone is C=CCN1CCN(CC(=O)c2ccc(OC(C)C)cc2)CC1.
What is the InChIKey of 1-(4-propan-2-yloxyphenyl)-2-(4-prop-2-enylpiperazin-1-yl)ethanone?
The InChIKey is KZYUPECQCLDIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-4-9-19-10-12-20(13-11-19)14-18(21)16-5-7-17(8-6-16)22-15(2)3/h4-8,15H,1,9-14H2,2-3H3.
What are the key properties of 1-(4-propan-2-yloxyphenyl)-2-(4-prop-2-enylpiperazin-1-yl)ethanone?
1-(4-propan-2-yloxyphenyl)-2-(4-prop-2-enylpiperazin-1-yl)ethanone has a molecular weight of 302.42 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yloxyphenyl)-2-(4-prop-2-enylpiperazin-1-yl)ethanone is sourced from PubChem (CID 118238777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).