2-(4-ethoxyphenyl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone

C24H30N2O3 — CID 108569229

IUPAC2-(4-ethoxyphenyl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)cc1
InChIInChI=1S/C24H30N2O3/c1-4-29-22-11-5-19(6-12-22)17-23(27)25-13-15-26(16-14-25)24(28)21-9-7-20(8-10-21)18(2)3/h5-12,18H,4,13-17H2,1-3H3
InChIKeyZQMGFFXRYRUGPF-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.74
Rot. Bonds6

About 2-(4-ethoxyphenyl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone

2-(4-ethoxyphenyl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone (PubChem CID 108569229) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone
PubChem CID108569229
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name2-(4-ethoxyphenyl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)cc1
InChIInChI=1S/C24H30N2O3/c1-4-29-22-11-5-19(6-12-22)17-23(27)25-13-15-26(16-14-25)24(28)21-9-7-20(8-10-21)18(2)3/h5-12,18H,4,13-17H2,1-3H3
InChIKeyZQMGFFXRYRUGPF-UHFFFAOYSA-N
XLogP3.74
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylphenoxy)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone
CID 55573955
2-(4-ethoxyphenyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
CID 108561343
1-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 110802073
1-[4-(4-ethoxybenzoyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 110808271
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
2-(4-ethoxyphenyl)-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 95348538
1-(4-aminopiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone
CID 82365897
ethyl 4-[2-(4-ethoxyphenyl)acetyl]piperazine-1-carboxylate
CID 78784884
1-[4-(4-ethoxybenzoyl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 110804301
1-[4-(3,5-dimethoxybenzoyl)-1,4-diazepan-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 108545109
1-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone
CID 110815393
1-[4-(4-ethoxybenzoyl)-1,4-diazepan-1-yl]-2-(1H-pyrrol-3-yl)ethanone
CID 110816661

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-ethoxyphenyl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone (CID 108569229) is 2-(4-ethoxyphenyl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-ethoxyphenyl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone is CCOc1ccc(CC(=O)N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone?
The InChIKey is ZQMGFFXRYRUGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-4-29-22-11-5-19(6-12-22)17-23(27)25-13-15-26(16-14-25)24(28)21-9-7-20(8-10-21)18(2)3/h5-12,18H,4,13-17H2,1-3H3.
What are the key properties of 2-(4-ethoxyphenyl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone?
2-(4-ethoxyphenyl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone has a molecular weight of 394.52 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 108569229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).