5-(4-amino-2-iodoanilino)-1-methylpiperidin-2-one

C12H16IN3O — CID 66093578

IUPAC5-(4-amino-2-iodoanilino)-1-methylpiperidin-2-one
SMILESCN1CC(Nc2ccc(N)cc2I)CCC1=O
InChIInChI=1S/C12H16IN3O/c1-16-7-9(3-5-12(16)17)15-11-4-2-8(14)6-10(11)13/h2,4,6,9,15H,3,5,7,14H2,1H3
InChIKeyULFQWQZOVZFHFG-UHFFFAOYSA-N
MW345.18 g/mol
LogP1.91
Rot. Bonds2

About 5-(4-amino-2-iodoanilino)-1-methylpiperidin-2-one

5-(4-amino-2-iodoanilino)-1-methylpiperidin-2-one (PubChem CID 66093578) has the molecular formula C12H16IN3O and a molecular weight of 345.18 g/mol. Its IUPAC name is 5-(4-amino-2-iodoanilino)-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-(4-amino-2-iodoanilino)-1-methylpiperidin-2-one
PubChem CID66093578
Molecular FormulaC12H16IN3O
Molecular Weight345.18 g/mol
Exact Mass345.03
IUPAC Name5-(4-amino-2-iodoanilino)-1-methylpiperidin-2-one
SMILESCN1CC(Nc2ccc(N)cc2I)CCC1=O
InChIInChI=1S/C12H16IN3O/c1-16-7-9(3-5-12(16)17)15-11-4-2-8(14)6-10(11)13/h2,4,6,9,15H,3,5,7,14H2,1H3
InChIKeyULFQWQZOVZFHFG-UHFFFAOYSA-N
XLogP1.91
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.18
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2-iodoanilino)-1-methylpiperidin-2-one?
The IUPAC name of 5-(4-amino-2-iodoanilino)-1-methylpiperidin-2-one (CID 66093578) is 5-(4-amino-2-iodoanilino)-1-methylpiperidin-2-one.
What is the SMILES notation for 5-(4-amino-2-iodoanilino)-1-methylpiperidin-2-one?
The canonical SMILES for 5-(4-amino-2-iodoanilino)-1-methylpiperidin-2-one is CN1CC(Nc2ccc(N)cc2I)CCC1=O.
What is the InChIKey of 5-(4-amino-2-iodoanilino)-1-methylpiperidin-2-one?
The InChIKey is ULFQWQZOVZFHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16IN3O/c1-16-7-9(3-5-12(16)17)15-11-4-2-8(14)6-10(11)13/h2,4,6,9,15H,3,5,7,14H2,1H3.
What are the key properties of 5-(4-amino-2-iodoanilino)-1-methylpiperidin-2-one?
5-(4-amino-2-iodoanilino)-1-methylpiperidin-2-one has a molecular weight of 345.18 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2-iodoanilino)-1-methylpiperidin-2-one is sourced from PubChem (CID 66093578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).