5-(6-amino-2,3-difluoroanilino)-1-methylpiperidin-2-one

C12H15F2N3O — CID 64656316

IUPAC5-(6-amino-2,3-difluoroanilino)-1-methylpiperidin-2-one
SMILESCN1CC(Nc2c(N)ccc(F)c2F)CCC1=O
InChIInChI=1S/C12H15F2N3O/c1-17-6-7(2-5-10(17)18)16-12-9(15)4-3-8(13)11(12)14/h3-4,7,16H,2,5-6,15H2,1H3
InChIKeyOQPVCOOLQHQPKK-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.58
Rot. Bonds2

About 5-(6-amino-2,3-difluoroanilino)-1-methylpiperidin-2-one

5-(6-amino-2,3-difluoroanilino)-1-methylpiperidin-2-one (PubChem CID 64656316) has the molecular formula C12H15F2N3O and a molecular weight of 255.27 g/mol. Its IUPAC name is 5-(6-amino-2,3-difluoroanilino)-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-(6-amino-2,3-difluoroanilino)-1-methylpiperidin-2-one
PubChem CID64656316
Molecular FormulaC12H15F2N3O
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name5-(6-amino-2,3-difluoroanilino)-1-methylpiperidin-2-one
SMILESCN1CC(Nc2c(N)ccc(F)c2F)CCC1=O
InChIInChI=1S/C12H15F2N3O/c1-17-6-7(2-5-10(17)18)16-12-9(15)4-3-8(13)11(12)14/h3-4,7,16H,2,5-6,15H2,1H3
InChIKeyOQPVCOOLQHQPKK-UHFFFAOYSA-N
XLogP1.58
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(6-amino-2,3-difluoroanilino)-1-methylpiperidin-2-one?
The IUPAC name of 5-(6-amino-2,3-difluoroanilino)-1-methylpiperidin-2-one (CID 64656316) is 5-(6-amino-2,3-difluoroanilino)-1-methylpiperidin-2-one.
What is the SMILES notation for 5-(6-amino-2,3-difluoroanilino)-1-methylpiperidin-2-one?
The canonical SMILES for 5-(6-amino-2,3-difluoroanilino)-1-methylpiperidin-2-one is CN1CC(Nc2c(N)ccc(F)c2F)CCC1=O.
What is the InChIKey of 5-(6-amino-2,3-difluoroanilino)-1-methylpiperidin-2-one?
The InChIKey is OQPVCOOLQHQPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O/c1-17-6-7(2-5-10(17)18)16-12-9(15)4-3-8(13)11(12)14/h3-4,7,16H,2,5-6,15H2,1H3.
What are the key properties of 5-(6-amino-2,3-difluoroanilino)-1-methylpiperidin-2-one?
5-(6-amino-2,3-difluoroanilino)-1-methylpiperidin-2-one has a molecular weight of 255.27 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-amino-2,3-difluoroanilino)-1-methylpiperidin-2-one is sourced from PubChem (CID 64656316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).