1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-2-phenylethanone

C19H20N2O3 — CID 108534759

IUPAC1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCN(C(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C19H20N2O3/c22-17-8-4-7-16(14-17)19(24)21-11-9-20(10-12-21)18(23)13-15-5-2-1-3-6-15/h1-8,14,22H,9-13H2
InChIKeyVIMINCMQSBYVFG-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.92
Rot. Bonds3

About 1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-2-phenylethanone

1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-2-phenylethanone (PubChem CID 108534759) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-2-phenylethanone
PubChem CID108534759
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCN(C(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C19H20N2O3/c22-17-8-4-7-16(14-17)19(24)21-11-9-20(10-12-21)18(23)13-15-5-2-1-3-6-15/h1-8,14,22H,9-13H2
InChIKeyVIMINCMQSBYVFG-UHFFFAOYSA-N
XLogP1.92
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]-2-phenylethanone
CID 108534758
1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-phenylethanone
CID 110364856
1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone
CID 59140032
[3-[4-(2-phenylacetyl)-1,4-diazepane-1-carbonyl]phenyl] acetate
CID 108543500
1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone
CID 650859
(3-hydroxyphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 78785217
1-(4-benzoyl-1,4-diazepan-1-yl)-2-(3-chlorophenyl)ethanone
CID 110798191
2-[2-[4-(3-hydroxybenzoyl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 108535196
2-phenyl-1-[4-(pyridazine-4-carbonyl)piperazin-1-yl]ethanone
CID 136517874
3-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]benzoic acid
CID 122028603
[4-(3-bromobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 52859810
1-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 110802073

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-2-phenylethanone (CID 108534759) is 1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1CCN(C(=O)c2cccc(O)c2)CC1.
What is the InChIKey of 1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-2-phenylethanone?
The InChIKey is VIMINCMQSBYVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-17-8-4-7-16(14-17)19(24)21-11-9-20(10-12-21)18(23)13-15-5-2-1-3-6-15/h1-8,14,22H,9-13H2.
What are the key properties of 1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-2-phenylethanone?
1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-2-phenylethanone has a molecular weight of 324.38 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 108534759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).