[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-hydroxy-4-methylbenzoate

C20H22N2O4 — CID 7149779

IUPAC[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-hydroxy-4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)c(O)c1
InChIInChI=1S/C20H22N2O4/c1-15-7-8-17(18(23)13-15)20(25)26-14-19(24)22-11-9-21(10-12-22)16-5-3-2-4-6-16/h2-8,13,23H,9-12,14H2,1H3
InChIKeyRZTXIUYVABRXSA-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.21
Rot. Bonds4

About [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-hydroxy-4-methylbenzoate

[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-hydroxy-4-methylbenzoate (PubChem CID 7149779) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-hydroxy-4-methylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-hydroxy-4-methylbenzoate
PubChem CID7149779
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-hydroxy-4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)c(O)c1
InChIInChI=1S/C20H22N2O4/c1-15-7-8-17(18(23)13-15)20(25)26-14-19(24)22-11-9-21(10-12-22)16-5-3-2-4-6-16/h2-8,13,23H,9-12,14H2,1H3
InChIKeyRZTXIUYVABRXSA-UHFFFAOYSA-N
XLogP2.21
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-hydroxy-4-methylbenzoate?
The IUPAC name of [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-hydroxy-4-methylbenzoate (CID 7149779) is [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-hydroxy-4-methylbenzoate.
What is the SMILES notation for [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-hydroxy-4-methylbenzoate?
The canonical SMILES for [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-hydroxy-4-methylbenzoate is Cc1ccc(C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)c(O)c1.
What is the InChIKey of [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-hydroxy-4-methylbenzoate?
The InChIKey is RZTXIUYVABRXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-15-7-8-17(18(23)13-15)20(25)26-14-19(24)22-11-9-21(10-12-22)16-5-3-2-4-6-16/h2-8,13,23H,9-12,14H2,1H3.
What are the key properties of [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-hydroxy-4-methylbenzoate?
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-hydroxy-4-methylbenzoate has a molecular weight of 354.41 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-hydroxy-4-methylbenzoate is sourced from PubChem (CID 7149779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).