1-[2-(2,5-difluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid

C15H17F2NO3 — CID 122118895

IUPAC1-[2-(2,5-difluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)Cc2cc(F)ccc2F)C1
InChIInChI=1S/C15H17F2NO3/c1-9-4-11(15(20)21)8-18(7-9)14(19)6-10-5-12(16)2-3-13(10)17/h2-3,5,9,11H,4,6-8H2,1H3,(H,20,21)
InChIKeyZDIMQFGQJVXBBB-UHFFFAOYSA-N
MW297.30 g/mol
LogP2.08
Rot. Bonds3

About 1-[2-(2,5-difluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid

1-[2-(2,5-difluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122118895) has the molecular formula C15H17F2NO3 and a molecular weight of 297.30 g/mol. Its IUPAC name is 1-[2-(2,5-difluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,5-difluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122118895
Molecular FormulaC15H17F2NO3
Molecular Weight297.30 g/mol
Exact Mass297.12
IUPAC Name1-[2-(2,5-difluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)Cc2cc(F)ccc2F)C1
InChIInChI=1S/C15H17F2NO3/c1-9-4-11(15(20)21)8-18(7-9)14(19)6-10-5-12(16)2-3-13(10)17/h2-3,5,9,11H,4,6-8H2,1H3,(H,20,21)
InChIKeyZDIMQFGQJVXBBB-UHFFFAOYSA-N
XLogP2.08
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(2,5-difluorophenyl)acetyl]-5-methylpiperidine-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-(4-fluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119547
(3S)-1-[2-(2,5-difluorophenyl)acetyl]piperidine-3-carboxylic acid
CID 98024202
1-[2-(4-chlorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119518
1-[4-(3,4-difluorophenyl)-4-oxobutanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122118095
1-[4-(3-fluorophenyl)-3-methyl-4-oxobutanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122118066
(3S)-1-[3-(2,5-difluorophenyl)propanoyl]piperidine-3-carboxylic acid
CID 119173536
1-[1-(2,5-difluorophenyl)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122890
(3S,4S)-1-[3-(2,5-difluorophenyl)propanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120952585
1-(5-fluoro-2-iodobenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122118403
1-[4-(4-fluorophenoxy)butanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122118917
1-[(5-bromo-2-fluorophenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122233
1-[2-(2,5-difluorophenyl)acetyl]piperidine-4-carboxamide
CID 119138730

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-difluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(2,5-difluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid (CID 122118895) is 1-[2-(2,5-difluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2,5-difluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(2,5-difluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)Cc2cc(F)ccc2F)C1.
What is the InChIKey of 1-[2-(2,5-difluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is ZDIMQFGQJVXBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO3/c1-9-4-11(15(20)21)8-18(7-9)14(19)6-10-5-12(16)2-3-13(10)17/h2-3,5,9,11H,4,6-8H2,1H3,(H,20,21).
What are the key properties of 1-[2-(2,5-difluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid?
1-[2-(2,5-difluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 297.30 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-difluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122118895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).