1-(2-fluoro-6-iodobenzoyl)piperidine-4-carboxylic acid

C13H13FINO3 — CID 119349235

IUPAC1-(2-fluoro-6-iodobenzoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2c(F)cccc2I)CC1
InChIInChI=1S/C13H13FINO3/c14-9-2-1-3-10(15)11(9)12(17)16-6-4-8(5-7-16)13(18)19/h1-3,8H,4-7H2,(H,18,19)
InChIKeyDDDXPKMYEHAXHA-UHFFFAOYSA-N
MW377.15 g/mol
LogP2.37
Rot. Bonds2

About 1-(2-fluoro-6-iodobenzoyl)piperidine-4-carboxylic acid

1-(2-fluoro-6-iodobenzoyl)piperidine-4-carboxylic acid (PubChem CID 119349235) has the molecular formula C13H13FINO3 and a molecular weight of 377.15 g/mol. Its IUPAC name is 1-(2-fluoro-6-iodobenzoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluoro-6-iodobenzoyl)piperidine-4-carboxylic acid
PubChem CID119349235
Molecular FormulaC13H13FINO3
Molecular Weight377.15 g/mol
Exact Mass376.99
IUPAC Name1-(2-fluoro-6-iodobenzoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2c(F)cccc2I)CC1
InChIInChI=1S/C13H13FINO3/c14-9-2-1-3-10(15)11(9)12(17)16-6-4-8(5-7-16)13(18)19/h1-3,8H,4-7H2,(H,18,19)
InChIKeyDDDXPKMYEHAXHA-UHFFFAOYSA-N
XLogP2.37
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.15
LogP ≤ 52.37
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

1-(2-fluoro-6-methoxybenzoyl)piperidine-4-carboxylic acid
CID 65432243
1-(2,3-difluorobenzoyl)piperidine-4-carboxylic acid
CID 62650616
[3-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-6-iodophenyl)methanone;hydrochloride
CID 119487395
(2-fluoro-6-iodophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119494037
[3-(dimethylamino)azetidin-1-yl]-(2-fluoro-6-iodophenyl)methanone
CID 172646736
1-(2,3-difluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 63030779
(3S)-1-(2-fluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 129368662
2-[4-(2,6-difluorobenzoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119182884
(3S)-1-(2-chloro-3-fluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 129393963
2-[1-(2,6-difluorobenzoyl)azepan-4-yl]acetic acid
CID 120950031
2-[1-(2-bromo-6-fluorobenzoyl)piperidin-4-yl]acetic acid
CID 115909676
1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119166599

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-iodobenzoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-fluoro-6-iodobenzoyl)piperidine-4-carboxylic acid (CID 119349235) is 1-(2-fluoro-6-iodobenzoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-fluoro-6-iodobenzoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-fluoro-6-iodobenzoyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)c2c(F)cccc2I)CC1.
What is the InChIKey of 1-(2-fluoro-6-iodobenzoyl)piperidine-4-carboxylic acid?
The InChIKey is DDDXPKMYEHAXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FINO3/c14-9-2-1-3-10(15)11(9)12(17)16-6-4-8(5-7-16)13(18)19/h1-3,8H,4-7H2,(H,18,19).
What are the key properties of 1-(2-fluoro-6-iodobenzoyl)piperidine-4-carboxylic acid?
1-(2-fluoro-6-iodobenzoyl)piperidine-4-carboxylic acid has a molecular weight of 377.15 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-iodobenzoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 119349235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).