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

Name: 1-(5-fluoro-2-iodobenzoyl)-5-methylpiperidine-3-carboxylic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₁₅FINO₃ — CID 122118403

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	1-(5-fluoro-2-iodobenzoyl)-5-methylpiperidine-3-carboxylic acid
PubChem CID	122118403
Molecular Formula	C₁₄H₁₅FINO₃
Molecular Weight	391.18 g/mol
Exact Mass	391.01
IUPAC Name	1-(5-fluoro-2-iodobenzoyl)-5-methylpiperidine-3-carboxylic acid
SMILES	CC1CC(C(=O)O)CN(C(=O)c2cc(F)ccc2I)C1
InChI	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)
InChIKey	UCGKJWJPYSJMIH-UHFFFAOYSA-N
XLogP	2.61
TPSA	57.61 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	2
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.18
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

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).

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Sources

PubChem CID 122118403 — identifiers, structure, computed properties (public domain)

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