methyl 3-(2-oxopiperidin-1-yl)benzoate

C13H15NO3 — CID 10681135

IUPACmethyl 3-(2-oxopiperidin-1-yl)benzoate
SMILESCOC(=O)c1cccc(N2CCCCC2=O)c1
InChIInChI=1S/C13H15NO3/c1-17-13(16)10-5-4-6-11(9-10)14-8-3-2-7-12(14)15/h4-6,9H,2-3,7-8H2,1H3
InChIKeyWBIOFNUPQLMBOK-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.99
Rot. Bonds2

About methyl 3-(2-oxopiperidin-1-yl)benzoate

methyl 3-(2-oxopiperidin-1-yl)benzoate (PubChem CID 10681135) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is methyl 3-(2-oxopiperidin-1-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-(2-oxopiperidin-1-yl)benzoate
PubChem CID10681135
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Namemethyl 3-(2-oxopiperidin-1-yl)benzoate
SMILESCOC(=O)c1cccc(N2CCCCC2=O)c1
InChIInChI=1S/C13H15NO3/c1-17-13(16)10-5-4-6-11(9-10)14-8-3-2-7-12(14)15/h4-6,9H,2-3,7-8H2,1H3
InChIKeyWBIOFNUPQLMBOK-UHFFFAOYSA-N
XLogP1.99
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
methyl 3-(3-oxomorpholin-4-yl)benzoate
CID 165482126
[(1S)-1-cyanoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8728071
dimethyl 5-[[3-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzene-1,3-dicarboxylate
CID 26268468
[(1R)-2-oxocyclohexyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8725942
methyl 4-[2-methyl-4-(2-oxopiperidin-1-yl)phenyl]benzoate
CID 18694267
3-methoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687642
methyl 3-methoxy-4-(2-oxopiperidin-1-yl)benzoate
CID 53419638
3-(2-oxopyrrolidin-1-yl)-N-propan-2-yloxybenzamide
CID 91545272
3,4-dimethoxy-N'-[3-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide
CID 34253914
[2-(4-methoxyphenyl)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8727594
N-[[4-(methoxymethyl)phenyl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46416010

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-oxopiperidin-1-yl)benzoate?
The IUPAC name of methyl 3-(2-oxopiperidin-1-yl)benzoate (CID 10681135) is methyl 3-(2-oxopiperidin-1-yl)benzoate.
What is the SMILES notation for methyl 3-(2-oxopiperidin-1-yl)benzoate?
The canonical SMILES for methyl 3-(2-oxopiperidin-1-yl)benzoate is COC(=O)c1cccc(N2CCCCC2=O)c1.
What is the InChIKey of methyl 3-(2-oxopiperidin-1-yl)benzoate?
The InChIKey is WBIOFNUPQLMBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-17-13(16)10-5-4-6-11(9-10)14-8-3-2-7-12(14)15/h4-6,9H,2-3,7-8H2,1H3.
What are the key properties of methyl 3-(2-oxopiperidin-1-yl)benzoate?
methyl 3-(2-oxopiperidin-1-yl)benzoate has a molecular weight of 233.27 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-oxopiperidin-1-yl)benzoate is sourced from PubChem (CID 10681135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).