[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-(2-oxochromen-7-yl)oxyacetate

C25H24N2O7 — CID 55468829

IUPAC[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-(2-oxochromen-7-yl)oxyacetate
SMILESO=C(COc1ccc2ccc(=O)oc2c1)OCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C25H24N2O7/c28-22(27-12-10-18(11-13-27)25(31)26-19-4-2-1-3-5-19)15-33-24(30)16-32-20-8-6-17-7-9-23(29)34-21(17)14-20/h1-9,14,18H,10-13,15-16H2,(H,26,31)
InChIKeySLAAOFNNDVFOIE-UHFFFAOYSA-N
MW464.47 g/mol
LogP2.59
Rot. Bonds7

About [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-(2-oxochromen-7-yl)oxyacetate

[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-(2-oxochromen-7-yl)oxyacetate (PubChem CID 55468829) has the molecular formula C25H24N2O7 and a molecular weight of 464.47 g/mol. Its IUPAC name is [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-(2-oxochromen-7-yl)oxyacetate.

Molecular Properties

Compound Name[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-(2-oxochromen-7-yl)oxyacetate
PubChem CID55468829
Molecular FormulaC25H24N2O7
Molecular Weight464.47 g/mol
Exact Mass464.16
IUPAC Name[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-(2-oxochromen-7-yl)oxyacetate
SMILESO=C(COc1ccc2ccc(=O)oc2c1)OCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C25H24N2O7/c28-22(27-12-10-18(11-13-27)25(31)26-19-4-2-1-3-5-19)15-33-24(30)16-32-20-8-6-17-7-9-23(29)34-21(17)14-20/h1-9,14,18H,10-13,15-16H2,(H,26,31)
InChIKeySLAAOFNNDVFOIE-UHFFFAOYSA-N
XLogP2.59
TPSA115.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.47
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-(3-methylphenoxy)acetate
CID 42004675
[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate
CID 42983121
7-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethoxy]chromen-2-one;hydrochloride
CID 119412010
1-[2-(3-iodophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide
CID 36562759
N-phenyl-1-[2-(4-propoxyphenoxy)acetyl]piperidine-4-carboxamide
CID 41499383
7-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethoxy]chromen-2-one
CID 134020445
N-phenyl-1-[2-(4-propanoylphenoxy)acetyl]piperidine-4-carboxamide
CID 51214187
methyl 2-[4-[2-(2-oxochromen-7-yl)oxyacetyl]piperazin-1-yl]acetate
CID 171911145
N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631454
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-phenoxyacetate
CID 7980424
N-(4-fluorophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631357
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(2-oxochromen-7-yl)oxyacetate
CID 55469981

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-(2-oxochromen-7-yl)oxyacetate?
The IUPAC name of [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-(2-oxochromen-7-yl)oxyacetate (CID 55468829) is [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-(2-oxochromen-7-yl)oxyacetate.
What is the SMILES notation for [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-(2-oxochromen-7-yl)oxyacetate?
The canonical SMILES for [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-(2-oxochromen-7-yl)oxyacetate is O=C(COc1ccc2ccc(=O)oc2c1)OCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-(2-oxochromen-7-yl)oxyacetate?
The InChIKey is SLAAOFNNDVFOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O7/c28-22(27-12-10-18(11-13-27)25(31)26-19-4-2-1-3-5-19)15-33-24(30)16-32-20-8-6-17-7-9-23(29)34-21(17)14-20/h1-9,14,18H,10-13,15-16H2,(H,26,31).
What are the key properties of [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-(2-oxochromen-7-yl)oxyacetate?
[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-(2-oxochromen-7-yl)oxyacetate has a molecular weight of 464.47 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-(2-oxochromen-7-yl)oxyacetate is sourced from PubChem (CID 55468829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).