1-(5-fluoro-2-iodobenzoyl)-6-methylpiperidine-3-carboxylic acid

C14H15FINO3 — CID 122113714

IUPAC1-(5-fluoro-2-iodobenzoyl)-6-methylpiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1C(=O)c1cc(F)ccc1I
InChIInChI=1S/C14H15FINO3/c1-8-2-3-9(14(19)20)7-17(8)13(18)11-6-10(15)4-5-12(11)16/h4-6,8-9H,2-3,7H2,1H3,(H,19,20)
InChIKeyIXIWKHQUCSCXSQ-UHFFFAOYSA-N
MW391.18 g/mol
LogP2.76
Rot. Bonds2

About 1-(5-fluoro-2-iodobenzoyl)-6-methylpiperidine-3-carboxylic acid

1-(5-fluoro-2-iodobenzoyl)-6-methylpiperidine-3-carboxylic acid (PubChem CID 122113714) has the molecular formula C14H15FINO3 and a molecular weight of 391.18 g/mol. Its IUPAC name is 1-(5-fluoro-2-iodobenzoyl)-6-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-fluoro-2-iodobenzoyl)-6-methylpiperidine-3-carboxylic acid
PubChem CID122113714
Molecular FormulaC14H15FINO3
Molecular Weight391.18 g/mol
Exact Mass391.01
IUPAC Name1-(5-fluoro-2-iodobenzoyl)-6-methylpiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1C(=O)c1cc(F)ccc1I
InChIInChI=1S/C14H15FINO3/c1-8-2-3-9(14(19)20)7-17(8)13(18)11-6-10(15)4-5-12(11)16/h4-6,8-9H,2-3,7H2,1H3,(H,19,20)
InChIKeyIXIWKHQUCSCXSQ-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,6R)-1-[4-fluoro-2-(triazol-2-yl)benzoyl]-6-methylpiperidine-3-carboxylic acid
CID 86729685
1-(5-fluoro-2-iodobenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122118403
1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122114260
1-(5-fluoropyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083524
1-(3-fluoro-4-methylbenzoyl)-6-methylpiperidine-3-carboxylic acid
CID 122083734
1-[2-(2-chloro-4-fluorophenyl)acetyl]-6-methylpiperidine-3-carboxylic acid
CID 122113095
(5-bromo-2-iodophenyl)-(2,5-dimethylpiperidin-1-yl)methanone
CID 103713351
1-(2,5-dimethylfuran-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083917
(4-fluoro-2-iodophenyl)-(2-methylazepan-1-yl)methanone
CID 113236236
1-[2-(2,5-difluorophenyl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122113479
1-[2-(4-fluorophenyl)triazole-4-carbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122113522
[2-(1-aminoethyl)piperidin-1-yl]-(5-fluoro-2-iodophenyl)methanone;hydrochloride
CID 119435592

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-iodobenzoyl)-6-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(5-fluoro-2-iodobenzoyl)-6-methylpiperidine-3-carboxylic acid (CID 122113714) is 1-(5-fluoro-2-iodobenzoyl)-6-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-fluoro-2-iodobenzoyl)-6-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(5-fluoro-2-iodobenzoyl)-6-methylpiperidine-3-carboxylic acid is CC1CCC(C(=O)O)CN1C(=O)c1cc(F)ccc1I.
What is the InChIKey of 1-(5-fluoro-2-iodobenzoyl)-6-methylpiperidine-3-carboxylic acid?
The InChIKey is IXIWKHQUCSCXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FINO3/c1-8-2-3-9(14(19)20)7-17(8)13(18)11-6-10(15)4-5-12(11)16/h4-6,8-9H,2-3,7H2,1H3,(H,19,20).
What are the key properties of 1-(5-fluoro-2-iodobenzoyl)-6-methylpiperidine-3-carboxylic acid?
1-(5-fluoro-2-iodobenzoyl)-6-methylpiperidine-3-carboxylic acid has a molecular weight of 391.18 g/mol, XLogP of 2.76, 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)-6-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122113714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).