2-(4-methylpiperazin-1-yl)-1-(5-methyl-2-prop-2-enoxyphenyl)ethanone

C17H24N2O2 — CID 93192801

IUPAC2-(4-methylpiperazin-1-yl)-1-(5-methyl-2-prop-2-enoxyphenyl)ethanone
SMILESC=CCOc1ccc(C)cc1C(=O)CN1CCN(C)CC1
InChIInChI=1S/C17H24N2O2/c1-4-11-21-17-6-5-14(2)12-15(17)16(20)13-19-9-7-18(3)8-10-19/h4-6,12H,1,7-11,13H2,2-3H3
InChIKeyPQWQEZSLIHAWPD-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.99
Rot. Bonds6

About 2-(4-methylpiperazin-1-yl)-1-(5-methyl-2-prop-2-enoxyphenyl)ethanone

2-(4-methylpiperazin-1-yl)-1-(5-methyl-2-prop-2-enoxyphenyl)ethanone (PubChem CID 93192801) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-1-(5-methyl-2-prop-2-enoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-1-(5-methyl-2-prop-2-enoxyphenyl)ethanone
PubChem CID93192801
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-(4-methylpiperazin-1-yl)-1-(5-methyl-2-prop-2-enoxyphenyl)ethanone
SMILESC=CCOc1ccc(C)cc1C(=O)CN1CCN(C)CC1
InChIInChI=1S/C17H24N2O2/c1-4-11-21-17-6-5-14(2)12-15(17)16(20)13-19-9-7-18(3)8-10-19/h4-6,12H,1,7-11,13H2,2-3H3
InChIKeyPQWQEZSLIHAWPD-UHFFFAOYSA-N
XLogP1.99
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-methylpiperazin-1-yl)-1-(5-methyl-2-prop-2-enoxyphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-butoxy-5-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93192756
1-(5-methyl-2-prop-2-enoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82052110
2-(4-methylpiperazin-1-yl)-1-(5-methyl-2-propan-2-yloxyphenyl)ethanone
CID 93192786
2-(2,6-dimethylmorpholin-4-yl)-1-(5-methyl-2-prop-2-enoxyphenyl)ethanone
CID 82052122
1-(2-methoxy-4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 43794429
1-(5-methyl-2-prop-2-enoxyphenyl)-2-propylsulfanylethanone
CID 82052126
1-(5-methyl-2-propoxyphenyl)-2-piperazin-1-ylethanone
CID 82263418
1-[2-(2-ethoxy-5-methylphenyl)-2-oxoethyl]piperidine-4-carboxylic acid
CID 82136178
4-methyl-2-prop-2-enoxybenzoic acid
CID 23510388
1-(2-methoxy-3,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93193340
2-(aziridin-1-yl)-1-(2,5-dimethoxyphenyl)ethanone
CID 94683814
1-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93191408

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-1-(5-methyl-2-prop-2-enoxyphenyl)ethanone?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-1-(5-methyl-2-prop-2-enoxyphenyl)ethanone (CID 93192801) is 2-(4-methylpiperazin-1-yl)-1-(5-methyl-2-prop-2-enoxyphenyl)ethanone.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-1-(5-methyl-2-prop-2-enoxyphenyl)ethanone?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-1-(5-methyl-2-prop-2-enoxyphenyl)ethanone is C=CCOc1ccc(C)cc1C(=O)CN1CCN(C)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-1-(5-methyl-2-prop-2-enoxyphenyl)ethanone?
The InChIKey is PQWQEZSLIHAWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-11-21-17-6-5-14(2)12-15(17)16(20)13-19-9-7-18(3)8-10-19/h4-6,12H,1,7-11,13H2,2-3H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-1-(5-methyl-2-prop-2-enoxyphenyl)ethanone?
2-(4-methylpiperazin-1-yl)-1-(5-methyl-2-prop-2-enoxyphenyl)ethanone has a molecular weight of 288.39 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-1-(5-methyl-2-prop-2-enoxyphenyl)ethanone is sourced from PubChem (CID 93192801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).