3-phenyl-7-[2-[4-(piperazine-1-carbonyl)phenoxy]ethoxy]chromen-4-one

C28H26N2O5 — CID 10457421

IUPAC3-phenyl-7-[2-[4-(piperazine-1-carbonyl)phenoxy]ethoxy]chromen-4-one
SMILESO=C(c1ccc(OCCOc2ccc3c(=O)c(-c4ccccc4)coc3c2)cc1)N1CCNCC1
InChIInChI=1S/C28H26N2O5/c31-27-24-11-10-23(18-26(24)35-19-25(27)20-4-2-1-3-5-20)34-17-16-33-22-8-6-21(7-9-22)28(32)30-14-12-29-13-15-30/h1-11,18-19,29H,12-17H2
InChIKeyPMGFDNNJQLMGRY-UHFFFAOYSA-N
MW470.53 g/mol
LogP3.96
Rot. Bonds7

About 3-phenyl-7-[2-[4-(piperazine-1-carbonyl)phenoxy]ethoxy]chromen-4-one

3-phenyl-7-[2-[4-(piperazine-1-carbonyl)phenoxy]ethoxy]chromen-4-one (PubChem CID 10457421) has the molecular formula C28H26N2O5 and a molecular weight of 470.53 g/mol. Its IUPAC name is 3-phenyl-7-[2-[4-(piperazine-1-carbonyl)phenoxy]ethoxy]chromen-4-one.

Molecular Properties

Compound Name3-phenyl-7-[2-[4-(piperazine-1-carbonyl)phenoxy]ethoxy]chromen-4-one
PubChem CID10457421
Molecular FormulaC28H26N2O5
Molecular Weight470.53 g/mol
Exact Mass470.18
IUPAC Name3-phenyl-7-[2-[4-(piperazine-1-carbonyl)phenoxy]ethoxy]chromen-4-one
SMILESO=C(c1ccc(OCCOc2ccc3c(=O)c(-c4ccccc4)coc3c2)cc1)N1CCNCC1
InChIInChI=1S/C28H26N2O5/c31-27-24-11-10-23(18-26(24)35-19-25(27)20-4-2-1-3-5-20)34-17-16-33-22-8-6-21(7-9-22)28(32)30-14-12-29-13-15-30/h1-11,18-19,29H,12-17H2
InChIKeyPMGFDNNJQLMGRY-UHFFFAOYSA-N
XLogP3.96
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-7-(4-piperazin-1-ylbutoxy)chromen-4-one
CID 11090179
7-[4-(4-acetylpiperazin-1-yl)butoxy]-3-phenylchromen-4-one
CID 10971851
3-phenyl-7-(2-phenylethoxy)chromen-4-one
CID 23878926
6-(4-oxo-3-phenylchromen-7-yl)oxyhexanoic acid
CID 54129732
5-hydroxy-7-(4-oxo-4-piperazin-1-ylbutoxy)-3-phenylchromen-4-one
CID 10949584
7-(4-piperazin-1-ylbutoxy)-3-(4-propan-2-ylphenyl)chromen-4-one
CID 102303977
7-(3-methylbutoxy)-3-phenylchromen-4-one
CID 23931723
(4-oxo-3-phenylchromen-7-yl) 2-phenoxyacetate
CID 8913011
7-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-phenylchromen-4-one
CID 41091483
7-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one
CID 40919216
N-cyclopropyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 7641759
7-(1-hydroxypropan-2-yloxy)-3-phenylchromen-4-one
CID 101159250

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-7-[2-[4-(piperazine-1-carbonyl)phenoxy]ethoxy]chromen-4-one?
The IUPAC name of 3-phenyl-7-[2-[4-(piperazine-1-carbonyl)phenoxy]ethoxy]chromen-4-one (CID 10457421) is 3-phenyl-7-[2-[4-(piperazine-1-carbonyl)phenoxy]ethoxy]chromen-4-one.
What is the SMILES notation for 3-phenyl-7-[2-[4-(piperazine-1-carbonyl)phenoxy]ethoxy]chromen-4-one?
The canonical SMILES for 3-phenyl-7-[2-[4-(piperazine-1-carbonyl)phenoxy]ethoxy]chromen-4-one is O=C(c1ccc(OCCOc2ccc3c(=O)c(-c4ccccc4)coc3c2)cc1)N1CCNCC1.
What is the InChIKey of 3-phenyl-7-[2-[4-(piperazine-1-carbonyl)phenoxy]ethoxy]chromen-4-one?
The InChIKey is PMGFDNNJQLMGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O5/c31-27-24-11-10-23(18-26(24)35-19-25(27)20-4-2-1-3-5-20)34-17-16-33-22-8-6-21(7-9-22)28(32)30-14-12-29-13-15-30/h1-11,18-19,29H,12-17H2.
What are the key properties of 3-phenyl-7-[2-[4-(piperazine-1-carbonyl)phenoxy]ethoxy]chromen-4-one?
3-phenyl-7-[2-[4-(piperazine-1-carbonyl)phenoxy]ethoxy]chromen-4-one has a molecular weight of 470.53 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-7-[2-[4-(piperazine-1-carbonyl)phenoxy]ethoxy]chromen-4-one is sourced from PubChem (CID 10457421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).