methyl 4-(5-hydroxy-2-oxopiperidin-1-yl)benzoate

C13H15NO4 — CID 117013948

IUPACmethyl 4-(5-hydroxy-2-oxopiperidin-1-yl)benzoate
SMILESCOC(=O)c1ccc(N2CC(O)CCC2=O)cc1
InChIInChI=1S/C13H15NO4/c1-18-13(17)9-2-4-10(5-3-9)14-8-11(15)6-7-12(14)16/h2-5,11,15H,6-8H2,1H3
InChIKeyBMFRLLJJRVZRGP-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.96
Rot. Bonds2

About methyl 4-(5-hydroxy-2-oxopiperidin-1-yl)benzoate

methyl 4-(5-hydroxy-2-oxopiperidin-1-yl)benzoate (PubChem CID 117013948) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is methyl 4-(5-hydroxy-2-oxopiperidin-1-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(5-hydroxy-2-oxopiperidin-1-yl)benzoate
PubChem CID117013948
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Namemethyl 4-(5-hydroxy-2-oxopiperidin-1-yl)benzoate
SMILESCOC(=O)c1ccc(N2CC(O)CCC2=O)cc1
InChIInChI=1S/C13H15NO4/c1-18-13(17)9-2-4-10(5-3-9)14-8-11(15)6-7-12(14)16/h2-5,11,15H,6-8H2,1H3
InChIKeyBMFRLLJJRVZRGP-UHFFFAOYSA-N
XLogP0.96
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]benzoate
CID 168670030
1-(4-fluorophenyl)-5-hydroxypiperidin-2-one
CID 117013916
methyl 4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 83726248
methyl 4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 168507353
methyl 4-(4-cyano-2-oxopyrrolidin-1-yl)benzoate
CID 82041731
methyl 4-[2-(aminomethyl)-5-oxomorpholin-4-yl]benzoate
CID 117008948
methyl 4-[4-(acetylsulfanylmethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 168666701
(4-methoxycarbonylphenyl) (3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057135
methyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate
CID 8747295
methyl 4-[4-[(4-acetylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189487
methyl 4-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]benzoate
CID 70498190
methyl 3-amino-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoate
CID 168702177

Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-hydroxy-2-oxopiperidin-1-yl)benzoate?
The IUPAC name of methyl 4-(5-hydroxy-2-oxopiperidin-1-yl)benzoate (CID 117013948) is methyl 4-(5-hydroxy-2-oxopiperidin-1-yl)benzoate.
What is the SMILES notation for methyl 4-(5-hydroxy-2-oxopiperidin-1-yl)benzoate?
The canonical SMILES for methyl 4-(5-hydroxy-2-oxopiperidin-1-yl)benzoate is COC(=O)c1ccc(N2CC(O)CCC2=O)cc1.
What is the InChIKey of methyl 4-(5-hydroxy-2-oxopiperidin-1-yl)benzoate?
The InChIKey is BMFRLLJJRVZRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-18-13(17)9-2-4-10(5-3-9)14-8-11(15)6-7-12(14)16/h2-5,11,15H,6-8H2,1H3.
What are the key properties of methyl 4-(5-hydroxy-2-oxopiperidin-1-yl)benzoate?
methyl 4-(5-hydroxy-2-oxopiperidin-1-yl)benzoate has a molecular weight of 249.27 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-hydroxy-2-oxopiperidin-1-yl)benzoate is sourced from PubChem (CID 117013948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).