2-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]chromen-4-one

C21H20N2O4 — CID 118323806

IUPAC2-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]chromen-4-one
SMILESO=C(COc1ccc(-c2cc(=O)c3ccccc3o2)cc1)N1CCNCC1
InChIInChI=1S/C21H20N2O4/c24-18-13-20(27-19-4-2-1-3-17(18)19)15-5-7-16(8-6-15)26-14-21(25)23-11-9-22-10-12-23/h1-8,13,22H,9-12,14H2
InChIKeyDZMSEOPVZMAZFI-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.27
Rot. Bonds4

About 2-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]chromen-4-one

2-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]chromen-4-one (PubChem CID 118323806) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]chromen-4-one.

Molecular Properties

Compound Name2-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]chromen-4-one
PubChem CID118323806
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name2-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]chromen-4-one
SMILESO=C(COc1ccc(-c2cc(=O)c3ccccc3o2)cc1)N1CCNCC1
InChIInChI=1S/C21H20N2O4/c24-18-13-20(27-19-4-2-1-3-17(18)19)15-5-7-16(8-6-15)26-14-21(25)23-11-9-22-10-12-23/h1-8,13,22H,9-12,14H2
InChIKeyDZMSEOPVZMAZFI-UHFFFAOYSA-N
XLogP2.27
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]chromen-4-one?
The IUPAC name of 2-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]chromen-4-one (CID 118323806) is 2-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]chromen-4-one.
What is the SMILES notation for 2-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]chromen-4-one?
The canonical SMILES for 2-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]chromen-4-one is O=C(COc1ccc(-c2cc(=O)c3ccccc3o2)cc1)N1CCNCC1.
What is the InChIKey of 2-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]chromen-4-one?
The InChIKey is DZMSEOPVZMAZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c24-18-13-20(27-19-4-2-1-3-17(18)19)15-5-7-16(8-6-15)26-14-21(25)23-11-9-22-10-12-23/h1-8,13,22H,9-12,14H2.
What are the key properties of 2-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]chromen-4-one?
2-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]chromen-4-one has a molecular weight of 364.40 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]chromen-4-one is sourced from PubChem (CID 118323806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).