ethyl 1-[(4-ethoxyphenyl)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]piperidine-4-carboxylate

C26H36N2O6 — CID 54703771

IUPACethyl 1-[(4-ethoxyphenyl)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(c2ccc(OCC)cc2)c2c(O)cc(C)n(CCOC)c2=O)CC1
InChIInChI=1S/C26H36N2O6/c1-5-33-21-9-7-19(8-10-21)24(27-13-11-20(12-14-27)26(31)34-6-2)23-22(29)17-18(3)28(25(23)30)15-16-32-4/h7-10,17,20,24,29H,5-6,11-16H2,1-4H3
InChIKeyBPTUIAAYYSILSC-UHFFFAOYSA-N
MW472.58 g/mol
LogP3.27
Rot. Bonds10

About ethyl 1-[(4-ethoxyphenyl)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]piperidine-4-carboxylate

ethyl 1-[(4-ethoxyphenyl)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]piperidine-4-carboxylate (PubChem CID 54703771) has the molecular formula C26H36N2O6 and a molecular weight of 472.58 g/mol. Its IUPAC name is ethyl 1-[(4-ethoxyphenyl)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(4-ethoxyphenyl)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]piperidine-4-carboxylate
PubChem CID54703771
Molecular FormulaC26H36N2O6
Molecular Weight472.58 g/mol
Exact Mass472.26
IUPAC Nameethyl 1-[(4-ethoxyphenyl)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(c2ccc(OCC)cc2)c2c(O)cc(C)n(CCOC)c2=O)CC1
InChIInChI=1S/C26H36N2O6/c1-5-33-21-9-7-19(8-10-21)24(27-13-11-20(12-14-27)26(31)34-6-2)23-22(29)17-18(3)28(25(23)30)15-16-32-4/h7-10,17,20,24,29H,5-6,11-16H2,1-4H3
InChIKeyBPTUIAAYYSILSC-UHFFFAOYSA-N
XLogP3.27
TPSA90.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.58
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 1-[(4-ethoxyphenyl)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]piperidine-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4-ethoxyphenyl)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(4-ethoxyphenyl)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]piperidine-4-carboxylate (CID 54703771) is ethyl 1-[(4-ethoxyphenyl)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(4-ethoxyphenyl)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(4-ethoxyphenyl)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(c2ccc(OCC)cc2)c2c(O)cc(C)n(CCOC)c2=O)CC1.
What is the InChIKey of ethyl 1-[(4-ethoxyphenyl)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]piperidine-4-carboxylate?
The InChIKey is BPTUIAAYYSILSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O6/c1-5-33-21-9-7-19(8-10-21)24(27-13-11-20(12-14-27)26(31)34-6-2)23-22(29)17-18(3)28(25(23)30)15-16-32-4/h7-10,17,20,24,29H,5-6,11-16H2,1-4H3.
What are the key properties of ethyl 1-[(4-ethoxyphenyl)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]piperidine-4-carboxylate?
ethyl 1-[(4-ethoxyphenyl)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]piperidine-4-carboxylate has a molecular weight of 472.58 g/mol, XLogP of 3.27, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(4-ethoxyphenyl)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]piperidine-4-carboxylate is sourced from PubChem (CID 54703771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).