ethane;4-[2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]acetyl]piperazin-2-one

C24H34N2O4 — CID 144504784

IUPACethane;4-[2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]acetyl]piperazin-2-one
SMILESCC.CC.Cc1cc(CC(=O)N2CCNC(=O)C2)cc(C)c1Oc1ccc(O)cc1
InChIInChI=1S/C20H22N2O4.2C2H6/c1-13-9-15(11-19(25)22-8-7-21-18(24)12-22)10-14(2)20(13)26-17-5-3-16(23)4-6-17;2*1-2/h3-6,9-10,23H,7-8,11-12H2,1-2H3,(H,21,24);2*1-2H3
InChIKeyKNLMROOQYGOQDN-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.35
Rot. Bonds4

About ethane;4-[2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]acetyl]piperazin-2-one

ethane;4-[2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]acetyl]piperazin-2-one (PubChem CID 144504784) has the molecular formula C24H34N2O4 and a molecular weight of 414.55 g/mol. Its IUPAC name is ethane;4-[2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]acetyl]piperazin-2-one.

Molecular Properties

Compound Nameethane;4-[2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]acetyl]piperazin-2-one
PubChem CID144504784
Molecular FormulaC24H34N2O4
Molecular Weight414.55 g/mol
Exact Mass414.25
IUPAC Nameethane;4-[2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]acetyl]piperazin-2-one
SMILESCC.CC.Cc1cc(CC(=O)N2CCNC(=O)C2)cc(C)c1Oc1ccc(O)cc1
InChIInChI=1S/C20H22N2O4.2C2H6/c1-13-9-15(11-19(25)22-8-7-21-18(24)12-22)10-14(2)20(13)26-17-5-3-16(23)4-6-17;2*1-2/h3-6,9-10,23H,7-8,11-12H2,1-2H3,(H,21,24);2*1-2H3
InChIKeyKNLMROOQYGOQDN-UHFFFAOYSA-N
XLogP4.35
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(3-methylphenyl)acetyl]piperazin-2-one
CID 55126787
4-[2-(4-fluorophenoxy)acetyl]piperazin-2-one
CID 31095507
1-(3,4-dimethylphenyl)-4-(3-oxopiperazin-1-yl)butane-1,4-dione
CID 31097688
4-(2-hydroxy-5-methoxybenzoyl)piperazin-2-one
CID 60718067
4-[3-(3,4-dimethylphenoxy)propanoyl]-1,4-diazepan-2-one
CID 62898366
N-[3-chloro-4-[4-hydroxy-3-[(3-oxopiperazin-1-yl)methyl]phenoxy]-5-methylphenyl]-N'-hydroxyoxamide
CID 129256556
4-(2-pyridin-2-ylacetyl)piperazin-2-one
CID 62850564
4-[2-[(3-methylphenyl)methylsulfanyl]acetyl]piperazin-2-one
CID 31095104
4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-2-one
CID 47101126
2-[3-[[6-(2,3-diaminopropyl)-3-(4-hydroxyphenoxy)-2,4-dimethylphenyl]methyl]-4-(4-hydroxy-3-methylphenoxy)-5-methylphenyl]-1-morpholin-4-ylethanone
CID 123898355
4-(2,5-dimethylbenzoyl)piperazin-2-one
CID 31096061
4-[3-(3-chloro-4-methylphenyl)propanoyl]-1,4-diazepan-2-one
CID 62897024

Frequently Asked Questions

What is the IUPAC name of ethane;4-[2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]acetyl]piperazin-2-one?
The IUPAC name of ethane;4-[2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]acetyl]piperazin-2-one (CID 144504784) is ethane;4-[2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]acetyl]piperazin-2-one.
What is the SMILES notation for ethane;4-[2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]acetyl]piperazin-2-one?
The canonical SMILES for ethane;4-[2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]acetyl]piperazin-2-one is CC.CC.Cc1cc(CC(=O)N2CCNC(=O)C2)cc(C)c1Oc1ccc(O)cc1.
What is the InChIKey of ethane;4-[2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]acetyl]piperazin-2-one?
The InChIKey is KNLMROOQYGOQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4.2C2H6/c1-13-9-15(11-19(25)22-8-7-21-18(24)12-22)10-14(2)20(13)26-17-5-3-16(23)4-6-17;2*1-2/h3-6,9-10,23H,7-8,11-12H2,1-2H3,(H,21,24);2*1-2H3.
What are the key properties of ethane;4-[2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]acetyl]piperazin-2-one?
ethane;4-[2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]acetyl]piperazin-2-one has a molecular weight of 414.55 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]acetyl]piperazin-2-one is sourced from PubChem (CID 144504784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).