1-[(3-iodophenyl)methyl]piperidine-2,4-dione

C12H12INO2 — CID 71056983

IUPAC1-[(3-iodophenyl)methyl]piperidine-2,4-dione
SMILESO=C1CCN(Cc2cccc(I)c2)C(=O)C1
InChIInChI=1S/C12H12INO2/c13-10-3-1-2-9(6-10)8-14-5-4-11(15)7-12(14)16/h1-3,6H,4-5,7-8H2
InChIKeyDVEAVBKTBAZVJH-UHFFFAOYSA-N
MW329.14 g/mol
LogP1.98
Rot. Bonds2

About 1-[(3-iodophenyl)methyl]piperidine-2,4-dione

1-[(3-iodophenyl)methyl]piperidine-2,4-dione (PubChem CID 71056983) has the molecular formula C12H12INO2 and a molecular weight of 329.14 g/mol. Its IUPAC name is 1-[(3-iodophenyl)methyl]piperidine-2,4-dione.

Molecular Properties

Compound Name1-[(3-iodophenyl)methyl]piperidine-2,4-dione
PubChem CID71056983
Molecular FormulaC12H12INO2
Molecular Weight329.14 g/mol
Exact Mass328.99
IUPAC Name1-[(3-iodophenyl)methyl]piperidine-2,4-dione
SMILESO=C1CCN(Cc2cccc(I)c2)C(=O)C1
InChIInChI=1S/C12H12INO2/c13-10-3-1-2-9(6-10)8-14-5-4-11(15)7-12(14)16/h1-3,6H,4-5,7-8H2
InChIKeyDVEAVBKTBAZVJH-UHFFFAOYSA-N
XLogP1.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(3,4-difluorophenyl)methyl]piperidine-2,4-dione
CID 79515942
1-[(4-ethylphenyl)methyl]piperidine-2,4-dione
CID 106899915
1-[(3-chloro-4-fluorophenyl)methyl]piperidine-2,4-dione
CID 79516488
1-[(5-bromofuran-3-yl)methyl]piperidine-2,4-dione
CID 130747006
1-[(2-methylphenyl)methyl]piperidine-2,4-dione
CID 79515595
1-[[3-(bromomethyl)phenyl]methyl]pyrrolidin-2-one
CID 164596581
1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2,4-dione
CID 79517938
1-[(3-bromophenyl)methyl]pyrrolidin-2-one
CID 61414137
1-[[3-[(4-iodo-2-nitroanilino)methyl]phenyl]methyl]pyrrolidin-2-one
CID 112840708
4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-ium-5-one
CID 7447150
1-[(3-methyl-2-pyridinyl)methyl]piperidine-2,4-dione
CID 79517939
1-[(3-ethylphenyl)methyl]piperidin-2-one
CID 70929088

Frequently Asked Questions

What is the IUPAC name of 1-[(3-iodophenyl)methyl]piperidine-2,4-dione?
The IUPAC name of 1-[(3-iodophenyl)methyl]piperidine-2,4-dione (CID 71056983) is 1-[(3-iodophenyl)methyl]piperidine-2,4-dione.
What is the SMILES notation for 1-[(3-iodophenyl)methyl]piperidine-2,4-dione?
The canonical SMILES for 1-[(3-iodophenyl)methyl]piperidine-2,4-dione is O=C1CCN(Cc2cccc(I)c2)C(=O)C1.
What is the InChIKey of 1-[(3-iodophenyl)methyl]piperidine-2,4-dione?
The InChIKey is DVEAVBKTBAZVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12INO2/c13-10-3-1-2-9(6-10)8-14-5-4-11(15)7-12(14)16/h1-3,6H,4-5,7-8H2.
What are the key properties of 1-[(3-iodophenyl)methyl]piperidine-2,4-dione?
1-[(3-iodophenyl)methyl]piperidine-2,4-dione has a molecular weight of 329.14 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-iodophenyl)methyl]piperidine-2,4-dione is sourced from PubChem (CID 71056983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).