[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2,4-dihydroxybenzoate

C19H20N2O5 — CID 7990673

IUPAC[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2,4-dihydroxybenzoate
SMILESO=C(OCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(O)cc1O
InChIInChI=1S/C19H20N2O5/c22-15-6-7-16(17(23)12-15)19(25)26-13-18(24)21-10-8-20(9-11-21)14-4-2-1-3-5-14/h1-7,12,22-23H,8-11,13H2
InChIKeyAQDTULXVJGOLQN-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.60
Rot. Bonds4

About [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2,4-dihydroxybenzoate

[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2,4-dihydroxybenzoate (PubChem CID 7990673) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2,4-dihydroxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2,4-dihydroxybenzoate
PubChem CID7990673
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2,4-dihydroxybenzoate
SMILESO=C(OCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(O)cc1O
InChIInChI=1S/C19H20N2O5/c22-15-6-7-16(17(23)12-15)19(25)26-13-18(24)21-10-8-20(9-11-21)14-4-2-1-3-5-14/h1-7,12,22-23H,8-11,13H2
InChIKeyAQDTULXVJGOLQN-UHFFFAOYSA-N
XLogP1.60
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2,4-dihydroxybenzoate?
The IUPAC name of [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2,4-dihydroxybenzoate (CID 7990673) is [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2,4-dihydroxybenzoate.
What is the SMILES notation for [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2,4-dihydroxybenzoate?
The canonical SMILES for [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2,4-dihydroxybenzoate is O=C(OCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(O)cc1O.
What is the InChIKey of [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2,4-dihydroxybenzoate?
The InChIKey is AQDTULXVJGOLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c22-15-6-7-16(17(23)12-15)19(25)26-13-18(24)21-10-8-20(9-11-21)14-4-2-1-3-5-14/h1-7,12,22-23H,8-11,13H2.
What are the key properties of [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2,4-dihydroxybenzoate?
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2,4-dihydroxybenzoate has a molecular weight of 356.38 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2,4-dihydroxybenzoate is sourced from PubChem (CID 7990673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).