5-(2,4-difluoro-N-methylanilino)piperidin-2-one

C12H14F2N2O — CID 170231777

IUPAC5-(2,4-difluoro-N-methylanilino)piperidin-2-one
SMILESCN(c1ccc(F)cc1F)C1CCC(=O)NC1
InChIInChI=1S/C12H14F2N2O/c1-16(9-3-5-12(17)15-7-9)11-4-2-8(13)6-10(11)14/h2,4,6,9H,3,5,7H2,1H3,(H,15,17)
InChIKeyPVQZEMLBTPANAK-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.68
Rot. Bonds2

About 5-(2,4-difluoro-N-methylanilino)piperidin-2-one

5-(2,4-difluoro-N-methylanilino)piperidin-2-one (PubChem CID 170231777) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is 5-(2,4-difluoro-N-methylanilino)piperidin-2-one.

Molecular Properties

Compound Name5-(2,4-difluoro-N-methylanilino)piperidin-2-one
PubChem CID170231777
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name5-(2,4-difluoro-N-methylanilino)piperidin-2-one
SMILESCN(c1ccc(F)cc1F)C1CCC(=O)NC1
InChIInChI=1S/C12H14F2N2O/c1-16(9-3-5-12(17)15-7-9)11-4-2-8(13)6-10(11)14/h2,4,6,9H,3,5,7H2,1H3,(H,15,17)
InChIKeyPVQZEMLBTPANAK-UHFFFAOYSA-N
XLogP1.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluoro-N-methylanilino)piperidin-2-one?
The IUPAC name of 5-(2,4-difluoro-N-methylanilino)piperidin-2-one (CID 170231777) is 5-(2,4-difluoro-N-methylanilino)piperidin-2-one.
What is the SMILES notation for 5-(2,4-difluoro-N-methylanilino)piperidin-2-one?
The canonical SMILES for 5-(2,4-difluoro-N-methylanilino)piperidin-2-one is CN(c1ccc(F)cc1F)C1CCC(=O)NC1.
What is the InChIKey of 5-(2,4-difluoro-N-methylanilino)piperidin-2-one?
The InChIKey is PVQZEMLBTPANAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c1-16(9-3-5-12(17)15-7-9)11-4-2-8(13)6-10(11)14/h2,4,6,9H,3,5,7H2,1H3,(H,15,17).
What are the key properties of 5-(2,4-difluoro-N-methylanilino)piperidin-2-one?
5-(2,4-difluoro-N-methylanilino)piperidin-2-one has a molecular weight of 240.25 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluoro-N-methylanilino)piperidin-2-one is sourced from PubChem (CID 170231777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).