2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-5-(2-phenoxyethoxy)chromen-4-one

C24H26N2O6 — CID 12853019

IUPAC2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-5-(2-phenoxyethoxy)chromen-4-one
SMILESO=C(c1cc(=O)c2c(OCCOc3ccccc3)cccc2o1)N1CCN(CCO)CC1
InChIInChI=1S/C24H26N2O6/c27-14-13-25-9-11-26(12-10-25)24(29)22-17-19(28)23-20(7-4-8-21(23)32-22)31-16-15-30-18-5-2-1-3-6-18/h1-8,17,27H,9-16H2
InChIKeyFYSHMBMSWQYYGE-UHFFFAOYSA-N
MW438.48 g/mol
LogP2.00
Rot. Bonds8

About 2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-5-(2-phenoxyethoxy)chromen-4-one

2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-5-(2-phenoxyethoxy)chromen-4-one (PubChem CID 12853019) has the molecular formula C24H26N2O6 and a molecular weight of 438.48 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-5-(2-phenoxyethoxy)chromen-4-one.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-5-(2-phenoxyethoxy)chromen-4-one
PubChem CID12853019
Molecular FormulaC24H26N2O6
Molecular Weight438.48 g/mol
Exact Mass438.18
IUPAC Name2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-5-(2-phenoxyethoxy)chromen-4-one
SMILESO=C(c1cc(=O)c2c(OCCOc3ccccc3)cccc2o1)N1CCN(CCO)CC1
InChIInChI=1S/C24H26N2O6/c27-14-13-25-9-11-26(12-10-25)24(29)22-17-19(28)23-20(7-4-8-21(23)32-22)31-16-15-30-18-5-2-1-3-6-18/h1-8,17,27H,9-16H2
InChIKeyFYSHMBMSWQYYGE-UHFFFAOYSA-N
XLogP2.00
TPSA92.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-5-(2-phenoxyethoxy)chromen-4-one?
The IUPAC name of 2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-5-(2-phenoxyethoxy)chromen-4-one (CID 12853019) is 2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-5-(2-phenoxyethoxy)chromen-4-one.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-5-(2-phenoxyethoxy)chromen-4-one?
The canonical SMILES for 2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-5-(2-phenoxyethoxy)chromen-4-one is O=C(c1cc(=O)c2c(OCCOc3ccccc3)cccc2o1)N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-5-(2-phenoxyethoxy)chromen-4-one?
The InChIKey is FYSHMBMSWQYYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O6/c27-14-13-25-9-11-26(12-10-25)24(29)22-17-19(28)23-20(7-4-8-21(23)32-22)31-16-15-30-18-5-2-1-3-6-18/h1-8,17,27H,9-16H2.
What are the key properties of 2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-5-(2-phenoxyethoxy)chromen-4-one?
2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-5-(2-phenoxyethoxy)chromen-4-one has a molecular weight of 438.48 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-5-(2-phenoxyethoxy)chromen-4-one is sourced from PubChem (CID 12853019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).