1-(2,5-difluoro-4-methylphenyl)-6-oxopiperidine-3-carboxylic acid

C13H13F2NO3 — CID 103587426

IUPAC1-(2,5-difluoro-4-methylphenyl)-6-oxopiperidine-3-carboxylic acid
SMILESCc1cc(F)c(N2CC(C(=O)O)CCC2=O)cc1F
InChIInChI=1S/C13H13F2NO3/c1-7-4-10(15)11(5-9(7)14)16-6-8(13(18)19)2-3-12(16)17/h4-5,8H,2-3,6H2,1H3,(H,18,19)
InChIKeyYKXOLHFWMGSZNZ-UHFFFAOYSA-N
MW269.25 g/mol
LogP2.10
Rot. Bonds2

About 1-(2,5-difluoro-4-methylphenyl)-6-oxopiperidine-3-carboxylic acid

1-(2,5-difluoro-4-methylphenyl)-6-oxopiperidine-3-carboxylic acid (PubChem CID 103587426) has the molecular formula C13H13F2NO3 and a molecular weight of 269.25 g/mol. Its IUPAC name is 1-(2,5-difluoro-4-methylphenyl)-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,5-difluoro-4-methylphenyl)-6-oxopiperidine-3-carboxylic acid
PubChem CID103587426
Molecular FormulaC13H13F2NO3
Molecular Weight269.25 g/mol
Exact Mass269.09
IUPAC Name1-(2,5-difluoro-4-methylphenyl)-6-oxopiperidine-3-carboxylic acid
SMILESCc1cc(F)c(N2CC(C(=O)O)CCC2=O)cc1F
InChIInChI=1S/C13H13F2NO3/c1-7-4-10(15)11(5-9(7)14)16-6-8(13(18)19)2-3-12(16)17/h4-5,8H,2-3,6H2,1H3,(H,18,19)
InChIKeyYKXOLHFWMGSZNZ-UHFFFAOYSA-N
XLogP2.10
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,5-difluoro-4-methylphenyl)-6-oxopiperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-difluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696695
1-(4-methylphenyl)-6-oxopiperidine-3-carboxylic acid
CID 62303043
1-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 62301551
1-(4-chlorophenyl)-6-oxopiperidine-3-carboxylic acid
CID 10422408
1-(2,5-difluoro-4-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684654
(3R)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7378747
3-amino-1-(2,5-difluoro-4-methylphenyl)azetidin-2-one
CID 103587951
1-[3-(dimethylamino)phenyl]-6-oxopiperidine-3-carboxylic acid
CID 115379106
1-methyl-6-oxopiperidine-3-carboxylic acid
CID 25247731
1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 62302561
1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-6-methylpiperidine-3-carboxylic acid
CID 122104317
1-(2-amino-4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691859

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluoro-4-methylphenyl)-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 1-(2,5-difluoro-4-methylphenyl)-6-oxopiperidine-3-carboxylic acid (CID 103587426) is 1-(2,5-difluoro-4-methylphenyl)-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,5-difluoro-4-methylphenyl)-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 1-(2,5-difluoro-4-methylphenyl)-6-oxopiperidine-3-carboxylic acid is Cc1cc(F)c(N2CC(C(=O)O)CCC2=O)cc1F.
What is the InChIKey of 1-(2,5-difluoro-4-methylphenyl)-6-oxopiperidine-3-carboxylic acid?
The InChIKey is YKXOLHFWMGSZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO3/c1-7-4-10(15)11(5-9(7)14)16-6-8(13(18)19)2-3-12(16)17/h4-5,8H,2-3,6H2,1H3,(H,18,19).
What are the key properties of 1-(2,5-difluoro-4-methylphenyl)-6-oxopiperidine-3-carboxylic acid?
1-(2,5-difluoro-4-methylphenyl)-6-oxopiperidine-3-carboxylic acid has a molecular weight of 269.25 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluoro-4-methylphenyl)-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 103587426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).