4-[6-amino-2-(trifluoromethyl)-3-pyridinyl]piperidin-2-one

C11H12F3N3O — CID 53417897

IUPAC4-[6-amino-2-(trifluoromethyl)-3-pyridinyl]piperidin-2-one
SMILESNc1ccc(C2CCNC(=O)C2)c(C(F)(F)F)n1
InChIInChI=1S/C11H12F3N3O/c12-11(13,14)10-7(1-2-8(15)17-10)6-3-4-16-9(18)5-6/h1-2,6H,3-5H2,(H2,15,17)(H,16,18)
InChIKeyRWXBDULOIDYROP-UHFFFAOYSA-N
MW259.23 g/mol
LogP1.68
Rot. Bonds1

About 4-[6-amino-2-(trifluoromethyl)-3-pyridinyl]piperidin-2-one

4-[6-amino-2-(trifluoromethyl)-3-pyridinyl]piperidin-2-one (PubChem CID 53417897) has the molecular formula C11H12F3N3O and a molecular weight of 259.23 g/mol. Its IUPAC name is 4-[6-amino-2-(trifluoromethyl)-3-pyridinyl]piperidin-2-one.

Molecular Properties

Compound Name4-[6-amino-2-(trifluoromethyl)-3-pyridinyl]piperidin-2-one
PubChem CID53417897
Molecular FormulaC11H12F3N3O
Molecular Weight259.23 g/mol
Exact Mass259.09
IUPAC Name4-[6-amino-2-(trifluoromethyl)-3-pyridinyl]piperidin-2-one
SMILESNc1ccc(C2CCNC(=O)C2)c(C(F)(F)F)n1
InChIInChI=1S/C11H12F3N3O/c12-11(13,14)10-7(1-2-8(15)17-10)6-3-4-16-9(18)5-6/h1-2,6H,3-5H2,(H2,15,17)(H,16,18)
InChIKeyRWXBDULOIDYROP-UHFFFAOYSA-N
XLogP1.68
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-2-(trifluoromethyl)-3-pyridinyl]piperidin-2-one?
The IUPAC name of 4-[6-amino-2-(trifluoromethyl)-3-pyridinyl]piperidin-2-one (CID 53417897) is 4-[6-amino-2-(trifluoromethyl)-3-pyridinyl]piperidin-2-one.
What is the SMILES notation for 4-[6-amino-2-(trifluoromethyl)-3-pyridinyl]piperidin-2-one?
The canonical SMILES for 4-[6-amino-2-(trifluoromethyl)-3-pyridinyl]piperidin-2-one is Nc1ccc(C2CCNC(=O)C2)c(C(F)(F)F)n1.
What is the InChIKey of 4-[6-amino-2-(trifluoromethyl)-3-pyridinyl]piperidin-2-one?
The InChIKey is RWXBDULOIDYROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O/c12-11(13,14)10-7(1-2-8(15)17-10)6-3-4-16-9(18)5-6/h1-2,6H,3-5H2,(H2,15,17)(H,16,18).
What are the key properties of 4-[6-amino-2-(trifluoromethyl)-3-pyridinyl]piperidin-2-one?
4-[6-amino-2-(trifluoromethyl)-3-pyridinyl]piperidin-2-one has a molecular weight of 259.23 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-2-(trifluoromethyl)-3-pyridinyl]piperidin-2-one is sourced from PubChem (CID 53417897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).