2-(2-methylpiperazin-1-yl)-1-(4-phenylperoxyphenyl)ethanone

C19H22N2O3 — CID 155756342

IUPAC2-(2-methylpiperazin-1-yl)-1-(4-phenylperoxyphenyl)ethanone
SMILESCC1CNCCN1CC(=O)c1ccc(OOc2ccccc2)cc1
InChIInChI=1S/C19H22N2O3/c1-15-13-20-11-12-21(15)14-19(22)16-7-9-18(10-8-16)24-23-17-5-3-2-4-6-17/h2-10,15,20H,11-14H2,1H3
InChIKeyBZYSFDHUFLVAJK-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.54
Rot. Bonds6

About 2-(2-methylpiperazin-1-yl)-1-(4-phenylperoxyphenyl)ethanone

2-(2-methylpiperazin-1-yl)-1-(4-phenylperoxyphenyl)ethanone (PubChem CID 155756342) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-(2-methylpiperazin-1-yl)-1-(4-phenylperoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2-methylpiperazin-1-yl)-1-(4-phenylperoxyphenyl)ethanone
PubChem CID155756342
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-(2-methylpiperazin-1-yl)-1-(4-phenylperoxyphenyl)ethanone
SMILESCC1CNCCN1CC(=O)c1ccc(OOc2ccccc2)cc1
InChIInChI=1S/C19H22N2O3/c1-15-13-20-11-12-21(15)14-19(22)16-7-9-18(10-8-16)24-23-17-5-3-2-4-6-17/h2-10,15,20H,11-14H2,1H3
InChIKeyBZYSFDHUFLVAJK-UHFFFAOYSA-N
XLogP2.54
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylpiperazin-1-yl)-1-[4-(2-phenylhydrazinyl)phenyl]ethanone
CID 155756355
2-[(2R)-2-methylpiperazin-1-yl]-1-thiophen-2-ylethanone
CID 97163371
(2-methylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride
CID 119470393
N-ethyl-2-(2-methylpiperazin-1-yl)-N-phenylacetamide;hydrochloride
CID 119916315
2-[(2R)-2-methylpiperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 82713294
2-[(2S)-2-methylpiperazin-1-yl]-1-phenylethanol
CID 82755402
4-[[(2S)-2-methylpiperazin-1-yl]methyl]benzoic acid;hydrochloride
CID 135156370
2-(2-pentylpiperazin-1-yl)-1-phenylethanone
CID 66668802
N-(2-methylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82704678
N-(2-iodophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82714024
(2S)-2-methyl-1-[(2R)-2-phenylpropyl]piperazine
CID 96906178
N-(2-ethoxyphenyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62671745

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperazin-1-yl)-1-(4-phenylperoxyphenyl)ethanone?
The IUPAC name of 2-(2-methylpiperazin-1-yl)-1-(4-phenylperoxyphenyl)ethanone (CID 155756342) is 2-(2-methylpiperazin-1-yl)-1-(4-phenylperoxyphenyl)ethanone.
What is the SMILES notation for 2-(2-methylpiperazin-1-yl)-1-(4-phenylperoxyphenyl)ethanone?
The canonical SMILES for 2-(2-methylpiperazin-1-yl)-1-(4-phenylperoxyphenyl)ethanone is CC1CNCCN1CC(=O)c1ccc(OOc2ccccc2)cc1.
What is the InChIKey of 2-(2-methylpiperazin-1-yl)-1-(4-phenylperoxyphenyl)ethanone?
The InChIKey is BZYSFDHUFLVAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-15-13-20-11-12-21(15)14-19(22)16-7-9-18(10-8-16)24-23-17-5-3-2-4-6-17/h2-10,15,20H,11-14H2,1H3.
What are the key properties of 2-(2-methylpiperazin-1-yl)-1-(4-phenylperoxyphenyl)ethanone?
2-(2-methylpiperazin-1-yl)-1-(4-phenylperoxyphenyl)ethanone has a molecular weight of 326.40 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperazin-1-yl)-1-(4-phenylperoxyphenyl)ethanone is sourced from PubChem (CID 155756342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).