2-oxo-1-(piperidine-2-carbonyl)cyclohexane-1-carbonyl iodide

C13H18INO3 — CID 87170794

IUPAC2-oxo-1-(piperidine-2-carbonyl)cyclohexane-1-carbonyl iodide
SMILESO=C(I)C1(C(=O)C2CCCCN2)CCCCC1=O
InChIInChI=1S/C13H18INO3/c14-12(18)13(7-3-1-6-10(13)16)11(17)9-5-2-4-8-15-9/h9,15H,1-8H2
InChIKeyGSRBEVSAXBNVOF-UHFFFAOYSA-N
MW363.20 g/mol
LogP1.79
Rot. Bonds3

About 2-oxo-1-(piperidine-2-carbonyl)cyclohexane-1-carbonyl iodide

2-oxo-1-(piperidine-2-carbonyl)cyclohexane-1-carbonyl iodide (PubChem CID 87170794) has the molecular formula C13H18INO3 and a molecular weight of 363.20 g/mol. Its IUPAC name is 2-oxo-1-(piperidine-2-carbonyl)cyclohexane-1-carbonyl iodide.

Molecular Properties

Compound Name2-oxo-1-(piperidine-2-carbonyl)cyclohexane-1-carbonyl iodide
PubChem CID87170794
Molecular FormulaC13H18INO3
Molecular Weight363.20 g/mol
Exact Mass363.03
IUPAC Name2-oxo-1-(piperidine-2-carbonyl)cyclohexane-1-carbonyl iodide
SMILESO=C(I)C1(C(=O)C2CCCCN2)CCCCC1=O
InChIInChI=1S/C13H18INO3/c14-12(18)13(7-3-1-6-10(13)16)11(17)9-5-2-4-8-15-9/h9,15H,1-8H2
InChIKeyGSRBEVSAXBNVOF-UHFFFAOYSA-N
XLogP1.79
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-oxo-1-(piperidine-2-carbonyl)cyclohexane-1-carbonyl iodide 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

7-[1-(7-oxoazepane-2-carbonyl)cyclohexanecarbonyl]azepan-2-one
CID 140687627
bis[(2S)-piperidin-2-yl]methanone
CID 174971247
(2R)-piperidine-2-carboxylic acid
CID 10725378
(2S)-N-[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylpyrrolidine-2-carboxamide
CID 139320616
azacyclohenicosane-2-carboxylic acid
CID 22341743
1-piperidin-2-ylprop-2-en-1-one
CID 116547790
azepan-2-one;(2S)-pyrrolidine-2-carboxylic acid
CID 69116899
N-(piperidine-2-carbonylimino)piperidine-2-carboxamide
CID 14446535
(2R)-azepane-2-carboxylic acid;hydrochloride
CID 135393254
sodium (2S)-piperidine-2-carboxylate
CID 23691892
ethane;(2R)-piperidine-2-carboxylic acid
CID 157030734
N-[[1-(hydroxymethyl)cyclopentyl]methyl]piperidine-2-carboxamide
CID 113293938

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-(piperidine-2-carbonyl)cyclohexane-1-carbonyl iodide?
The IUPAC name of 2-oxo-1-(piperidine-2-carbonyl)cyclohexane-1-carbonyl iodide (CID 87170794) is 2-oxo-1-(piperidine-2-carbonyl)cyclohexane-1-carbonyl iodide.
What is the SMILES notation for 2-oxo-1-(piperidine-2-carbonyl)cyclohexane-1-carbonyl iodide?
The canonical SMILES for 2-oxo-1-(piperidine-2-carbonyl)cyclohexane-1-carbonyl iodide is O=C(I)C1(C(=O)C2CCCCN2)CCCCC1=O.
What is the InChIKey of 2-oxo-1-(piperidine-2-carbonyl)cyclohexane-1-carbonyl iodide?
The InChIKey is GSRBEVSAXBNVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18INO3/c14-12(18)13(7-3-1-6-10(13)16)11(17)9-5-2-4-8-15-9/h9,15H,1-8H2.
What are the key properties of 2-oxo-1-(piperidine-2-carbonyl)cyclohexane-1-carbonyl iodide?
2-oxo-1-(piperidine-2-carbonyl)cyclohexane-1-carbonyl iodide has a molecular weight of 363.20 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-(piperidine-2-carbonyl)cyclohexane-1-carbonyl iodide is sourced from PubChem (CID 87170794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).