1-(5-fluoro-2-iodobenzoyl)-5-methylpiperidine-3-carboxylic acid

C14H15FINO3 — CID 122118403

IUPAC1-(5-fluoro-2-iodobenzoyl)-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)c2cc(F)ccc2I)C1
InChIInChI=1S/C14H15FINO3/c1-8-4-9(14(19)20)7-17(6-8)13(18)11-5-10(15)2-3-12(11)16/h2-3,5,8-9H,4,6-7H2,1H3,(H,19,20)
InChIKeyUCGKJWJPYSJMIH-UHFFFAOYSA-N
MW391.18 g/mol
LogP2.61
Rot. Bonds2

About 1-(5-fluoro-2-iodobenzoyl)-5-methylpiperidine-3-carboxylic acid

1-(5-fluoro-2-iodobenzoyl)-5-methylpiperidine-3-carboxylic acid (PubChem CID 122118403) has the molecular formula C14H15FINO3 and a molecular weight of 391.18 g/mol. Its IUPAC name is 1-(5-fluoro-2-iodobenzoyl)-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-fluoro-2-iodobenzoyl)-5-methylpiperidine-3-carboxylic acid
PubChem CID122118403
Molecular FormulaC14H15FINO3
Molecular Weight391.18 g/mol
Exact Mass391.01
IUPAC Name1-(5-fluoro-2-iodobenzoyl)-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)c2cc(F)ccc2I)C1
InChIInChI=1S/C14H15FINO3/c1-8-4-9(14(19)20)7-17(6-8)13(18)11-5-10(15)2-3-12(11)16/h2-3,5,8-9H,4,6-7H2,1H3,(H,19,20)
InChIKeyUCGKJWJPYSJMIH-UHFFFAOYSA-N
XLogP2.61
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.18
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-(5-fluoro-2-iodobenzoyl)-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-(4-fluoro-2-nitrobenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119652
1-[2-fluoro-4-(4-fluorophenyl)benzoyl]-5-methylpiperidine-3-carboxylic acid
CID 122118292
aziridin-1-yl-(5-fluoro-2-iodophenyl)methanone
CID 130874927
(4-fluoro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone
CID 172646487
1-(5-fluoro-2-iodobenzoyl)-6-methylpiperidine-3-carboxylic acid
CID 122113714
1-(2,3-difluorobenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122118890
5-methyl-1-[2-(trifluoromethoxy)benzoyl]piperidine-3-carboxylic acid
CID 122117455
1-(2,4-dimethylbenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119554
1-(3-fluoro-5-methylbenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122118872
1-(5-fluoro-2-hydroxybenzoyl)azetidine-3-carboxylic acid
CID 115298536
5-methyl-1-(2-methyl-5-methylsulfanylbenzoyl)piperidine-3-carboxylic acid
CID 122118920
1-[2-(2,5-difluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122118895

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-iodobenzoyl)-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(5-fluoro-2-iodobenzoyl)-5-methylpiperidine-3-carboxylic acid (CID 122118403) is 1-(5-fluoro-2-iodobenzoyl)-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-fluoro-2-iodobenzoyl)-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(5-fluoro-2-iodobenzoyl)-5-methylpiperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)c2cc(F)ccc2I)C1.
What is the InChIKey of 1-(5-fluoro-2-iodobenzoyl)-5-methylpiperidine-3-carboxylic acid?
The InChIKey is UCGKJWJPYSJMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FINO3/c1-8-4-9(14(19)20)7-17(6-8)13(18)11-5-10(15)2-3-12(11)16/h2-3,5,8-9H,4,6-7H2,1H3,(H,19,20).
What are the key properties of 1-(5-fluoro-2-iodobenzoyl)-5-methylpiperidine-3-carboxylic acid?
1-(5-fluoro-2-iodobenzoyl)-5-methylpiperidine-3-carboxylic acid has a molecular weight of 391.18 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-iodobenzoyl)-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122118403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).