1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid

C13H15NO4 — CID 62302561

IUPAC1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
SMILESCOc1ccc(N2CC(C(=O)O)CCC2=O)cc1
InChIInChI=1S/C13H15NO4/c1-18-11-5-3-10(4-6-11)14-8-9(13(16)17)2-7-12(14)15/h3-6,9H,2,7-8H2,1H3,(H,16,17)
InChIKeyDRPHQWVIPVXWCU-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.52
Rot. Bonds3

About 1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid

1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid (PubChem CID 62302561) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
PubChem CID62302561
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
SMILESCOc1ccc(N2CC(C(=O)O)CCC2=O)cc1
InChIInChI=1S/C13H15NO4/c1-18-11-5-3-10(4-6-11)14-8-9(13(16)17)2-7-12(14)15/h3-6,9H,2,7-8H2,1H3,(H,16,17)
InChIKeyDRPHQWVIPVXWCU-UHFFFAOYSA-N
XLogP1.52
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-6-oxopiperidine-3-carboxylic acid
CID 62303043
1-[4-(4-methoxyphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 46779179
1-(4-chlorophenyl)-6-oxopiperidine-3-carboxylic acid
CID 10422408
1,5-bis(4-methoxyphenyl)piperidin-2-one
CID 153340032
4-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229943
3-(4-methoxyphenyl)-2-oxo-1,3-oxazinane-5-carboxylic acid
CID 117010286
(3R)-1-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 28875717
(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704642
1-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 62301551
(4-methoxyphenyl) (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057140
(2R)-1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 125120890
(3S)-1-[4-(2-methoxyphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 7220291

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid (CID 62302561) is 1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid is COc1ccc(N2CC(C(=O)O)CCC2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid?
The InChIKey is DRPHQWVIPVXWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-18-11-5-3-10(4-6-11)14-8-9(13(16)17)2-7-12(14)15/h3-6,9H,2,7-8H2,1H3,(H,16,17).
What are the key properties of 1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid?
1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 62302561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).