2-formyloxyethyl 4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]benzoate

C25H30N2O5 — CID 57192962

IUPAC2-formyloxyethyl 4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]benzoate
SMILESCCNC(=O)C(c1ccc(C(=O)OCCOC=O)cc1)c1ccccc1N1CCCCC1
InChIInChI=1S/C25H30N2O5/c1-2-26-24(29)23(21-8-4-5-9-22(21)27-14-6-3-7-15-27)19-10-12-20(13-11-19)25(30)32-17-16-31-18-28/h4-5,8-13,18,23H,2-3,6-7,14-17H2,1H3,(H,26,29)
InChIKeyBHWGZWOHBOJMCH-UHFFFAOYSA-N
MW438.52 g/mol
LogP3.27
Rot. Bonds10

About 2-formyloxyethyl 4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]benzoate

2-formyloxyethyl 4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]benzoate (PubChem CID 57192962) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is 2-formyloxyethyl 4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]benzoate.

Molecular Properties

Compound Name2-formyloxyethyl 4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]benzoate
PubChem CID57192962
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC Name2-formyloxyethyl 4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]benzoate
SMILESCCNC(=O)C(c1ccc(C(=O)OCCOC=O)cc1)c1ccccc1N1CCCCC1
InChIInChI=1S/C25H30N2O5/c1-2-26-24(29)23(21-8-4-5-9-22(21)27-14-6-3-7-15-27)19-10-12-20(13-11-19)25(30)32-17-16-31-18-28/h4-5,8-13,18,23H,2-3,6-7,14-17H2,1H3,(H,26,29)
InChIKeyBHWGZWOHBOJMCH-UHFFFAOYSA-N
XLogP3.27
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-formyloxyethyl 4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]benzoate?
The IUPAC name of 2-formyloxyethyl 4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]benzoate (CID 57192962) is 2-formyloxyethyl 4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]benzoate.
What is the SMILES notation for 2-formyloxyethyl 4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]benzoate?
The canonical SMILES for 2-formyloxyethyl 4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]benzoate is CCNC(=O)C(c1ccc(C(=O)OCCOC=O)cc1)c1ccccc1N1CCCCC1.
What is the InChIKey of 2-formyloxyethyl 4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]benzoate?
The InChIKey is BHWGZWOHBOJMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-2-26-24(29)23(21-8-4-5-9-22(21)27-14-6-3-7-15-27)19-10-12-20(13-11-19)25(30)32-17-16-31-18-28/h4-5,8-13,18,23H,2-3,6-7,14-17H2,1H3,(H,26,29).
What are the key properties of 2-formyloxyethyl 4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]benzoate?
2-formyloxyethyl 4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]benzoate has a molecular weight of 438.52 g/mol, XLogP of 3.27, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyloxyethyl 4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]benzoate is sourced from PubChem (CID 57192962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).