1-[2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetyl]piperidine-4-carboxylic acid

C23H21NO7 — CID 29147856

IUPAC1-[2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)CC1
InChIInChI=1S/C23H21NO7/c25-17-10-16(30-13-21(27)24-8-6-15(7-9-24)23(28)29)11-20-22(17)18(26)12-19(31-20)14-4-2-1-3-5-14/h1-5,10-12,15,25H,6-9,13H2,(H,28,29)
InChIKeyFAZUZUMGVSABPM-UHFFFAOYSA-N
MW423.42 g/mol
LogP2.87
Rot. Bonds5

About 1-[2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetyl]piperidine-4-carboxylic acid

1-[2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetyl]piperidine-4-carboxylic acid (PubChem CID 29147856) has the molecular formula C23H21NO7 and a molecular weight of 423.42 g/mol. Its IUPAC name is 1-[2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetyl]piperidine-4-carboxylic acid
PubChem CID29147856
Molecular FormulaC23H21NO7
Molecular Weight423.42 g/mol
Exact Mass423.13
IUPAC Name1-[2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)CC1
InChIInChI=1S/C23H21NO7/c25-17-10-16(30-13-21(27)24-8-6-15(7-9-24)23(28)29)11-20-22(17)18(26)12-19(31-20)14-4-2-1-3-5-14/h1-5,10-12,15,25H,6-9,13H2,(H,28,29)
InChIKeyFAZUZUMGVSABPM-UHFFFAOYSA-N
XLogP2.87
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-hydroxy-7-(2-hydroxyethoxy)-2-phenylchromen-4-one
CID 15896568
5-hydroxy-2-phenyl-7-(3-phenylprop-2-enoxy)chromen-4-one
CID 6802595
8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanoic acid
CID 172994915
4-bromobutyl 2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetate
CID 53486698
5-hydroxy-2-phenyl-7-(4-piperidin-4-ylbutoxy)chromen-4-one
CID 68755771
5-hydroxy-7-[2-(4-nitrophenyl)-2-oxoethoxy]-2-phenylchromen-4-one
CID 23960319
7-[(4-bromophenyl)methoxy]-5-hydroxy-2-phenylchromen-4-one
CID 6029612
7-(8-bromooctoxy)-5-hydroxy-2-phenylchromen-4-one
CID 172994912
1-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 119166473
5-hydroxy-2-phenyl-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one
CID 58212199
2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy-N-octadecylacetamide
CID 46231884
5-hydroxy-7-[2-(2-morpholin-4-ylethylamino)ethoxy]-2-phenylchromen-4-one
CID 134122328

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetyl]piperidine-4-carboxylic acid (CID 29147856) is 1-[2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)CC1.
What is the InChIKey of 1-[2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetyl]piperidine-4-carboxylic acid?
The InChIKey is FAZUZUMGVSABPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO7/c25-17-10-16(30-13-21(27)24-8-6-15(7-9-24)23(28)29)11-20-22(17)18(26)12-19(31-20)14-4-2-1-3-5-14/h1-5,10-12,15,25H,6-9,13H2,(H,28,29).
What are the key properties of 1-[2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetyl]piperidine-4-carboxylic acid?
1-[2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetyl]piperidine-4-carboxylic acid has a molecular weight of 423.42 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 29147856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).