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

C24H32N2O5 — CID 54721019

IUPACethyl 1-[[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-phenylmethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(c2ccccc2)c2c(O)cc(C)n(CCOC)c2=O)CC1
InChIInChI=1S/C24H32N2O5/c1-4-31-24(29)19-10-12-25(13-11-19)22(18-8-6-5-7-9-18)21-20(27)16-17(2)26(23(21)28)14-15-30-3/h5-9,16,19,22,27H,4,10-15H2,1-3H3
InChIKeyZVDAOHKVZPXAGE-UHFFFAOYSA-N
MW428.53 g/mol
LogP2.87
Rot. Bonds8

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

ethyl 1-[[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-phenylmethyl]piperidine-4-carboxylate (PubChem CID 54721019) has the molecular formula C24H32N2O5 and a molecular weight of 428.53 g/mol. Its IUPAC name is ethyl 1-[[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-phenylmethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-phenylmethyl]piperidine-4-carboxylate
PubChem CID54721019
Molecular FormulaC24H32N2O5
Molecular Weight428.53 g/mol
Exact Mass428.23
IUPAC Nameethyl 1-[[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-phenylmethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(c2ccccc2)c2c(O)cc(C)n(CCOC)c2=O)CC1
InChIInChI=1S/C24H32N2O5/c1-4-31-24(29)19-10-12-25(13-11-19)22(18-8-6-5-7-9-18)21-20(27)16-17(2)26(23(21)28)14-15-30-3/h5-9,16,19,22,27H,4,10-15H2,1-3H3
InChIKeyZVDAOHKVZPXAGE-UHFFFAOYSA-N
XLogP2.87
TPSA81.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-phenylmethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-phenylmethyl]piperidine-4-carboxylate (CID 54721019) is ethyl 1-[[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-phenylmethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-phenylmethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-phenylmethyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(c2ccccc2)c2c(O)cc(C)n(CCOC)c2=O)CC1.
What is the InChIKey of ethyl 1-[[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-phenylmethyl]piperidine-4-carboxylate?
The InChIKey is ZVDAOHKVZPXAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5/c1-4-31-24(29)19-10-12-25(13-11-19)22(18-8-6-5-7-9-18)21-20(27)16-17(2)26(23(21)28)14-15-30-3/h5-9,16,19,22,27H,4,10-15H2,1-3H3.
What are the key properties of ethyl 1-[[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-phenylmethyl]piperidine-4-carboxylate?
ethyl 1-[[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-phenylmethyl]piperidine-4-carboxylate has a molecular weight of 428.53 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-phenylmethyl]piperidine-4-carboxylate is sourced from PubChem (CID 54721019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).