1-(4-ethylpiperazin-1-yl)-4-(4-phenylphenyl)butane-1,4-dione

C22H26N2O2 — CID 71102379

IUPAC1-(4-ethylpiperazin-1-yl)-4-(4-phenylphenyl)butane-1,4-dione
SMILESCCN1CCN(C(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C22H26N2O2/c1-2-23-14-16-24(17-15-23)22(26)13-12-21(25)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3
InChIKeyHWJJOYVUVIXFKQ-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.48
Rot. Bonds6

About 1-(4-ethylpiperazin-1-yl)-4-(4-phenylphenyl)butane-1,4-dione

1-(4-ethylpiperazin-1-yl)-4-(4-phenylphenyl)butane-1,4-dione (PubChem CID 71102379) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-4-(4-phenylphenyl)butane-1,4-dione.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-4-(4-phenylphenyl)butane-1,4-dione
PubChem CID71102379
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name1-(4-ethylpiperazin-1-yl)-4-(4-phenylphenyl)butane-1,4-dione
SMILESCCN1CCN(C(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C22H26N2O2/c1-2-23-14-16-24(17-15-23)22(26)13-12-21(25)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3
InChIKeyHWJJOYVUVIXFKQ-UHFFFAOYSA-N
XLogP3.48
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-ethylpiperazin-1-yl)-4-(4-phenylphenyl)butane-1,4-dione with MolForge

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Related Compounds

1-(4-phenylphenyl)-4-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]butane-1,4-dione
CID 58156443
2-[4-[4-(4-methylphenyl)-4-oxobutanoyl]piperazin-1-yl]-N-phenylacetamide
CID 31149030
1-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)pentane-1,5-dione
CID 110298179
1-(4-ethylphenyl)-4-(4-phenylpiperazin-1-yl)butane-1,4-dione
CID 78774986
1-[(3R)-3-aminopyrrolidin-1-yl]-4-(4-phenylphenyl)butane-1,4-dione
CID 119411621
2-[4-(4-oxo-4-phenylbutanoyl)piperazin-1-yl]-N-phenylacetamide
CID 34435067
4-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-oxobutanamide
CID 110306289
1-phenyl-4-(4-propan-2-ylpiperazin-1-yl)butane-1,4-dione
CID 91004491
1-(4-methylphenyl)-4-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]butane-1,4-dione
CID 108545552
1-[4-(4-methylphenyl)-4-oxobutanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168142
3-(benzenesulfonyl)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 17310128
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 9397565

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-4-(4-phenylphenyl)butane-1,4-dione?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-4-(4-phenylphenyl)butane-1,4-dione (CID 71102379) is 1-(4-ethylpiperazin-1-yl)-4-(4-phenylphenyl)butane-1,4-dione.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-4-(4-phenylphenyl)butane-1,4-dione?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-4-(4-phenylphenyl)butane-1,4-dione is CCN1CCN(C(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-4-(4-phenylphenyl)butane-1,4-dione?
The InChIKey is HWJJOYVUVIXFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-2-23-14-16-24(17-15-23)22(26)13-12-21(25)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-4-(4-phenylphenyl)butane-1,4-dione?
1-(4-ethylpiperazin-1-yl)-4-(4-phenylphenyl)butane-1,4-dione has a molecular weight of 350.46 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-4-(4-phenylphenyl)butane-1,4-dione is sourced from PubChem (CID 71102379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).