1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione

C23H28N2O4 — CID 78777581

IUPAC1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione
SMILESCCCOc1ccc(C(=O)CCC(=O)N2CCN(c3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C23H28N2O4/c1-2-17-29-21-9-3-18(4-10-21)22(27)11-12-23(28)25-15-13-24(14-16-25)19-5-7-20(26)8-6-19/h3-10,26H,2,11-17H2,1H3
InChIKeyZETRWHPNQABLJY-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.49
Rot. Bonds8

About 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione

1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione (PubChem CID 78777581) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione.

Molecular Properties

Compound Name1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione
PubChem CID78777581
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione
SMILESCCCOc1ccc(C(=O)CCC(=O)N2CCN(c3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C23H28N2O4/c1-2-17-29-21-9-3-18(4-10-21)22(27)11-12-23(28)25-15-13-24(14-16-25)19-5-7-20(26)8-6-19/h3-10,26H,2,11-17H2,1H3
InChIKeyZETRWHPNQABLJY-UHFFFAOYSA-N
XLogP3.49
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione with MolForge

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Related Compounds

1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-1-one
CID 2423189
3-(4-hydroxyphenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 4741202
1-[4-(4-aminophenyl)piperazin-1-yl]-4-(4-hydroxyphenyl)butane-1,4-dione
CID 67548645
1-(4-methylpiperazin-1-yl)-4-(4-pentoxyphenyl)butane-1,4-dione
CID 112759546
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 9113502
1-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazin-1-yl]-4-(4-pentoxyphenyl)butane-1,4-dione
CID 55470812
1-(4-acetylpiperazin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione
CID 78777689
[4-[4-[4-(4-aminophenyl)piperazin-1-yl]-4-oxobutanoyl]phenyl] acetate
CID 58462417
1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-4-(4-pentoxyphenyl)butane-1,4-dione
CID 55851103
4-[4-(3-phenoxypropanoyl)piperazin-1-yl]benzoic acid
CID 4740871
1-(3-aminopiperidin-1-yl)-4-(4-propoxyphenyl)butane-1,4-dione
CID 119377036
1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione
CID 55547976

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione?
The IUPAC name of 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione (CID 78777581) is 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione.
What is the SMILES notation for 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione?
The canonical SMILES for 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione is CCCOc1ccc(C(=O)CCC(=O)N2CCN(c3ccc(O)cc3)CC2)cc1.
What is the InChIKey of 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione?
The InChIKey is ZETRWHPNQABLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-2-17-29-21-9-3-18(4-10-21)22(27)11-12-23(28)25-15-13-24(14-16-25)19-5-7-20(26)8-6-19/h3-10,26H,2,11-17H2,1H3.
What are the key properties of 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione?
1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione has a molecular weight of 396.49 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione is sourced from PubChem (CID 78777581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).