1-(4-acetylpiperazin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione

C18H24N2O4 — CID 78777689

IUPAC1-(4-acetylpiperazin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione
SMILESCCOc1ccc(C(=O)CCC(=O)N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C18H24N2O4/c1-3-24-16-6-4-15(5-7-16)17(22)8-9-18(23)20-12-10-19(11-13-20)14(2)21/h4-7H,3,8-13H2,1-2H3
InChIKeySOLDUPHFARIXMW-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.74
Rot. Bonds6

About 1-(4-acetylpiperazin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione

1-(4-acetylpiperazin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione (PubChem CID 78777689) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione
PubChem CID78777689
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name1-(4-acetylpiperazin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione
SMILESCCOc1ccc(C(=O)CCC(=O)N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C18H24N2O4/c1-3-24-16-6-4-15(5-7-16)17(22)8-9-18(23)20-12-10-19(11-13-20)14(2)21/h4-7H,3,8-13H2,1-2H3
InChIKeySOLDUPHFARIXMW-UHFFFAOYSA-N
XLogP1.74
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-aminopiperidin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione;hydrochloride
CID 119376549
methyl 1-[4-(4-ethoxyphenyl)-4-oxobutanoyl]piperidine-4-carboxylate
CID 4800489
1-[4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepan-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 108546051
1-[4-(1-aminoethyl)piperidin-1-yl]-4-(4-ethoxyphenyl)butane-1,4-dione;hydrochloride
CID 119520572
2-[4-[4-(4-ethoxyphenyl)-4-oxobutanoyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide
CID 55642249
ethyl 4-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperazine-1-carboxylate
CID 6620519
1-(4-methylpiperazin-1-yl)-4-(4-pentoxyphenyl)butane-1,4-dione
CID 112759546
1-(3-aminopiperidin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione
CID 119381396
1-(4-acetyl-1,4-diazepan-1-yl)-4-(4-methylphenyl)butane-1,4-dione
CID 134039071
1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-4-(4-ethoxyphenyl)butane-1,4-dione
CID 112806100
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-(4-ethoxyphenyl)butane-1,4-dione;hydrochloride
CID 119639024
1-[4-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethoxy]phenyl]propan-1-one
CID 134061611

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione (CID 78777689) is 1-(4-acetylpiperazin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione is CCOc1ccc(C(=O)CCC(=O)N2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione?
The InChIKey is SOLDUPHFARIXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-3-24-16-6-4-15(5-7-16)17(22)8-9-18(23)20-12-10-19(11-13-20)14(2)21/h4-7H,3,8-13H2,1-2H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione?
1-(4-acetylpiperazin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione has a molecular weight of 332.40 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione is sourced from PubChem (CID 78777689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).