1-[4-[2-(2,4-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(4-ethoxyphenyl)ethanone

C24H30N2O4 — CID 108534597

IUPAC1-[4-[2-(2,4-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(4-ethoxyphenyl)ethanone
SMILESCCOc1ccc(CC(=O)N2CCN(C(=O)COc3ccc(C)cc3C)CC2)cc1
InChIInChI=1S/C24H30N2O4/c1-4-29-21-8-6-20(7-9-21)16-23(27)25-11-13-26(14-12-25)24(28)17-30-22-10-5-18(2)15-19(22)3/h5-10,15H,4,11-14,16-17H2,1-3H3
InChIKeyMEVBOXJFCSTCIG-UHFFFAOYSA-N
MW410.51 g/mol
LogP2.99
Rot. Bonds7

About 1-[4-[2-(2,4-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(4-ethoxyphenyl)ethanone

1-[4-[2-(2,4-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(4-ethoxyphenyl)ethanone (PubChem CID 108534597) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 1-[4-[2-(2,4-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(4-ethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[4-[2-(2,4-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(4-ethoxyphenyl)ethanone
PubChem CID108534597
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name1-[4-[2-(2,4-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(4-ethoxyphenyl)ethanone
SMILESCCOc1ccc(CC(=O)N2CCN(C(=O)COc3ccc(C)cc3C)CC2)cc1
InChIInChI=1S/C24H30N2O4/c1-4-29-21-8-6-20(7-9-21)16-23(27)25-11-13-26(14-12-25)24(28)17-30-22-10-5-18(2)15-19(22)3/h5-10,15H,4,11-14,16-17H2,1-3H3
InChIKeyMEVBOXJFCSTCIG-UHFFFAOYSA-N
XLogP2.99
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[2-(2,4-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(4-ethoxyphenyl)ethanone with MolForge

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Related Compounds

1-[4-[2-(4-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 108547166
1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108536873
ethyl 4-[2-(4-ethoxyphenyl)acetyl]piperazine-1-carboxylate
CID 78784884
2-(4-ethoxyphenyl)-1-[4-[2-(2-methoxyphenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 108547169
1-[4-[2-(2,4-dimethylphenoxy)acetyl]piperazin-1-yl]-3-methylbutan-1-one
CID 108533811
1-[4-[2-(4-chlorophenoxy)acetyl]-1,4-diazepan-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 108547153
1-(4-aminopiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone
CID 82365897
2-(2,4-dimethylphenoxy)-1-[4-[2-(2,3,6-trimethylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108534589
ethyl 4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepane-1-carboxylate
CID 110808925
1-[4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 121106979
2-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55461138
1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 48867817

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2,4-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(4-ethoxyphenyl)ethanone?
The IUPAC name of 1-[4-[2-(2,4-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(4-ethoxyphenyl)ethanone (CID 108534597) is 1-[4-[2-(2,4-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(4-ethoxyphenyl)ethanone.
What is the SMILES notation for 1-[4-[2-(2,4-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(4-ethoxyphenyl)ethanone?
The canonical SMILES for 1-[4-[2-(2,4-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(4-ethoxyphenyl)ethanone is CCOc1ccc(CC(=O)N2CCN(C(=O)COc3ccc(C)cc3C)CC2)cc1.
What is the InChIKey of 1-[4-[2-(2,4-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(4-ethoxyphenyl)ethanone?
The InChIKey is MEVBOXJFCSTCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-4-29-21-8-6-20(7-9-21)16-23(27)25-11-13-26(14-12-25)24(28)17-30-22-10-5-18(2)15-19(22)3/h5-10,15H,4,11-14,16-17H2,1-3H3.
What are the key properties of 1-[4-[2-(2,4-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(4-ethoxyphenyl)ethanone?
1-[4-[2-(2,4-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(4-ethoxyphenyl)ethanone has a molecular weight of 410.51 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2,4-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(4-ethoxyphenyl)ethanone is sourced from PubChem (CID 108534597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).