1-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]-2-phenylethanone

C19H20N2O4 — CID 108534758

IUPAC1-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCN(C(=O)c2cc(O)cc(O)c2)CC1
InChIInChI=1S/C19H20N2O4/c22-16-11-15(12-17(23)13-16)19(25)21-8-6-20(7-9-21)18(24)10-14-4-2-1-3-5-14/h1-5,11-13,22-23H,6-10H2
InChIKeyXWTMYEWVLLAEFE-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.62
Rot. Bonds3

About 1-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]-2-phenylethanone

1-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]-2-phenylethanone (PubChem CID 108534758) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]-2-phenylethanone
PubChem CID108534758
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name1-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCN(C(=O)c2cc(O)cc(O)c2)CC1
InChIInChI=1S/C19H20N2O4/c22-16-11-15(12-17(23)13-16)19(25)21-8-6-20(7-9-21)18(24)10-14-4-2-1-3-5-14/h1-5,11-13,22-23H,6-10H2
InChIKeyXWTMYEWVLLAEFE-UHFFFAOYSA-N
XLogP1.62
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-2-phenylethanone
CID 108534759
1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-phenylethanone
CID 110364856
2-phenyl-1-[4-(pyridazine-4-carbonyl)piperazin-1-yl]ethanone
CID 136517874
1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone
CID 650859
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
2-[2-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 108535195
4-(2-phenylacetyl)piperazine-1-carboxamide
CID 21469263
1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone
CID 59140032
1-[4-(4-tert-butylbenzoyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 108545580
1-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 110802073
1-(4-benzoyl-1,4-diazepan-1-yl)-2-(3-chlorophenyl)ethanone
CID 110798191
2-phenyl-1-[4-(4-pyrrol-1-ylbenzoyl)-1,4-diazepan-1-yl]ethanone
CID 108545585

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]-2-phenylethanone (CID 108534758) is 1-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1CCN(C(=O)c2cc(O)cc(O)c2)CC1.
What is the InChIKey of 1-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]-2-phenylethanone?
The InChIKey is XWTMYEWVLLAEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-16-11-15(12-17(23)13-16)19(25)21-8-6-20(7-9-21)18(24)10-14-4-2-1-3-5-14/h1-5,11-13,22-23H,6-10H2.
What are the key properties of 1-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]-2-phenylethanone?
1-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]-2-phenylethanone has a molecular weight of 340.38 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 108534758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).