methyl 3-methoxy-4-(2-oxopiperidin-1-yl)benzoate

C14H17NO4 — CID 53419638

IUPACmethyl 3-methoxy-4-(2-oxopiperidin-1-yl)benzoate
SMILESCOC(=O)c1ccc(N2CCCCC2=O)c(OC)c1
InChIInChI=1S/C14H17NO4/c1-18-12-9-10(14(17)19-2)6-7-11(12)15-8-4-3-5-13(15)16/h6-7,9H,3-5,8H2,1-2H3
InChIKeyUYNNIEXXANOHKB-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.00
Rot. Bonds3

About methyl 3-methoxy-4-(2-oxopiperidin-1-yl)benzoate

methyl 3-methoxy-4-(2-oxopiperidin-1-yl)benzoate (PubChem CID 53419638) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is methyl 3-methoxy-4-(2-oxopiperidin-1-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-methoxy-4-(2-oxopiperidin-1-yl)benzoate
PubChem CID53419638
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namemethyl 3-methoxy-4-(2-oxopiperidin-1-yl)benzoate
SMILESCOC(=O)c1ccc(N2CCCCC2=O)c(OC)c1
InChIInChI=1S/C14H17NO4/c1-18-12-9-10(14(17)19-2)6-7-11(12)15-8-4-3-5-13(15)16/h6-7,9H,3-5,8H2,1-2H3
InChIKeyUYNNIEXXANOHKB-UHFFFAOYSA-N
XLogP2.00
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-4-(2-oxopiperidin-1-yl)benzenecarbothioamide
CID 113460407
3-methoxy-4-(2-oxopyrrolidin-1-yl)benzenecarbothioamide
CID 104849536
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18140044
3,4-diethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687515
N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 7687570
N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-4-phenylbenzamide
CID 7687543
4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686632
methyl 3-(2-oxopiperidin-1-yl)benzoate
CID 10681135
3,4,5-triethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 42525029
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 7686708
methyl 2-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate
CID 7686676
1-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidin-2-one
CID 104848461

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-4-(2-oxopiperidin-1-yl)benzoate?
The IUPAC name of methyl 3-methoxy-4-(2-oxopiperidin-1-yl)benzoate (CID 53419638) is methyl 3-methoxy-4-(2-oxopiperidin-1-yl)benzoate.
What is the SMILES notation for methyl 3-methoxy-4-(2-oxopiperidin-1-yl)benzoate?
The canonical SMILES for methyl 3-methoxy-4-(2-oxopiperidin-1-yl)benzoate is COC(=O)c1ccc(N2CCCCC2=O)c(OC)c1.
What is the InChIKey of methyl 3-methoxy-4-(2-oxopiperidin-1-yl)benzoate?
The InChIKey is UYNNIEXXANOHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-18-12-9-10(14(17)19-2)6-7-11(12)15-8-4-3-5-13(15)16/h6-7,9H,3-5,8H2,1-2H3.
What are the key properties of methyl 3-methoxy-4-(2-oxopiperidin-1-yl)benzoate?
methyl 3-methoxy-4-(2-oxopiperidin-1-yl)benzoate has a molecular weight of 263.29 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-4-(2-oxopiperidin-1-yl)benzoate is sourced from PubChem (CID 53419638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).