ethyl 1-[[1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-phenylmethyl]piperidine-4-carboxylate

C26H30N2O5 — CID 54703777

IUPACethyl 1-[[1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-phenylmethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(c2ccccc2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1
InChIInChI=1S/C26H30N2O5/c1-3-32-26(31)20-11-13-27(14-12-20)24(19-8-5-4-6-9-19)23-22(29)16-18(2)28(25(23)30)17-21-10-7-15-33-21/h4-10,15-16,20,24,29H,3,11-14,17H2,1-2H3
InChIKeyJGFQQJXIEAPMDD-UHFFFAOYSA-N
MW450.54 g/mol
LogP3.87
Rot. Bonds7

About ethyl 1-[[1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-phenylmethyl]piperidine-4-carboxylate

ethyl 1-[[1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-phenylmethyl]piperidine-4-carboxylate (PubChem CID 54703777) has the molecular formula C26H30N2O5 and a molecular weight of 450.54 g/mol. Its IUPAC name is ethyl 1-[[1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-phenylmethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-phenylmethyl]piperidine-4-carboxylate
PubChem CID54703777
Molecular FormulaC26H30N2O5
Molecular Weight450.54 g/mol
Exact Mass450.22
IUPAC Nameethyl 1-[[1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-phenylmethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(c2ccccc2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1
InChIInChI=1S/C26H30N2O5/c1-3-32-26(31)20-11-13-27(14-12-20)24(19-8-5-4-6-9-19)23-22(29)16-18(2)28(25(23)30)17-21-10-7-15-33-21/h4-10,15-16,20,24,29H,3,11-14,17H2,1-2H3
InChIKeyJGFQQJXIEAPMDD-UHFFFAOYSA-N
XLogP3.87
TPSA84.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-phenylmethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[[1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-phenylmethyl]piperidine-4-carboxylate (CID 54703777) is ethyl 1-[[1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-phenylmethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[[1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-phenylmethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[[1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-phenylmethyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(c2ccccc2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1.
What is the InChIKey of ethyl 1-[[1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-phenylmethyl]piperidine-4-carboxylate?
The InChIKey is JGFQQJXIEAPMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O5/c1-3-32-26(31)20-11-13-27(14-12-20)24(19-8-5-4-6-9-19)23-22(29)16-18(2)28(25(23)30)17-21-10-7-15-33-21/h4-10,15-16,20,24,29H,3,11-14,17H2,1-2H3.
What are the key properties of ethyl 1-[[1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-phenylmethyl]piperidine-4-carboxylate?
ethyl 1-[[1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-phenylmethyl]piperidine-4-carboxylate has a molecular weight of 450.54 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-phenylmethyl]piperidine-4-carboxylate is sourced from PubChem (CID 54703777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).