methyl 3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-pyridin-4-ylpropanoate

C20H24N2O5 — CID 91637180

IUPACmethyl 3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-pyridin-4-ylpropanoate
SMILESCOC(=O)CC(c1ccncc1)c1oc(CN2CCCCC2)cc(=O)c1O
InChIInChI=1S/C20H24N2O5/c1-26-18(24)12-16(14-5-7-21-8-6-14)20-19(25)17(23)11-15(27-20)13-22-9-3-2-4-10-22/h5-8,11,16,25H,2-4,9-10,12-13H2,1H3
InChIKeyFTZPRQSRGDYFBT-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.42
Rot. Bonds6

About methyl 3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-pyridin-4-ylpropanoate

methyl 3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-pyridin-4-ylpropanoate (PubChem CID 91637180) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is methyl 3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-pyridin-4-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-pyridin-4-ylpropanoate
PubChem CID91637180
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Namemethyl 3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-pyridin-4-ylpropanoate
SMILESCOC(=O)CC(c1ccncc1)c1oc(CN2CCCCC2)cc(=O)c1O
InChIInChI=1S/C20H24N2O5/c1-26-18(24)12-16(14-5-7-21-8-6-14)20-19(25)17(23)11-15(27-20)13-22-9-3-2-4-10-22/h5-8,11,16,25H,2-4,9-10,12-13H2,1H3
InChIKeyFTZPRQSRGDYFBT-UHFFFAOYSA-N
XLogP2.42
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-pyridin-4-ylpropanoate?
The IUPAC name of methyl 3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-pyridin-4-ylpropanoate (CID 91637180) is methyl 3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-pyridin-4-ylpropanoate.
What is the SMILES notation for methyl 3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-pyridin-4-ylpropanoate?
The canonical SMILES for methyl 3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-pyridin-4-ylpropanoate is COC(=O)CC(c1ccncc1)c1oc(CN2CCCCC2)cc(=O)c1O.
What is the InChIKey of methyl 3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-pyridin-4-ylpropanoate?
The InChIKey is FTZPRQSRGDYFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-26-18(24)12-16(14-5-7-21-8-6-14)20-19(25)17(23)11-15(27-20)13-22-9-3-2-4-10-22/h5-8,11,16,25H,2-4,9-10,12-13H2,1H3.
What are the key properties of methyl 3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-pyridin-4-ylpropanoate?
methyl 3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-pyridin-4-ylpropanoate has a molecular weight of 372.42 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-pyridin-4-ylpropanoate is sourced from PubChem (CID 91637180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).