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

C24H30N2O3 — CID 55573955

IUPAC2-(4-ethylphenoxy)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone
SMILESCCc1ccc(OCC(=O)N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)cc1
InChIInChI=1S/C24H30N2O3/c1-4-19-5-11-22(12-6-19)29-17-23(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
InChIKeyPKEVYUNHWHJKJT-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.74
Rot. Bonds6

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

2-(4-ethylphenoxy)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone (PubChem CID 55573955) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone
PubChem CID55573955
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name2-(4-ethylphenoxy)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone
SMILESCCc1ccc(OCC(=O)N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)cc1
InChIInChI=1S/C24H30N2O3/c1-4-19-5-11-22(12-6-19)29-17-23(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
InChIKeyPKEVYUNHWHJKJT-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-ethoxyphenyl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone
CID 108569229
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone
CID 38027776
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone
CID 108534117
1-[4-(4-ethoxybenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone
CID 108535113
1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone
CID 108533580
3-phenoxy-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one
CID 108569450
2-(2,4-dimethylphenoxy)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone
CID 108568076
1-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-2-(4-propylphenoxy)ethanone
CID 108544009
2-(4-ethylphenoxy)-1-thiomorpholin-4-ylethanone
CID 143724139
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-ethylphenoxy)ethanone
CID 119517242
4-[2-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethoxy]benzonitrile
CID 9109359
1-(4-ethylphenyl)-2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 110366791

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-ethylphenoxy)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone (CID 55573955) is 2-(4-ethylphenoxy)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-ethylphenoxy)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-ethylphenoxy)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone is CCc1ccc(OCC(=O)N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone?
The InChIKey is PKEVYUNHWHJKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-4-19-5-11-22(12-6-19)29-17-23(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-ethylphenoxy)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone?
2-(4-ethylphenoxy)-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-ethylphenoxy)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 55573955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).