3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]piperidin-2-one

C11H13F3N4O — CID 106747635

IUPAC3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]piperidin-2-one
SMILESNc1cnc(C(F)(F)F)cc1NC1CCCNC1=O
InChIInChI=1S/C11H13F3N4O/c12-11(13,14)9-4-8(6(15)5-17-9)18-7-2-1-3-16-10(7)19/h4-5,7H,1-3,15H2,(H,16,19)(H,17,18)
InChIKeyBAKGAIILTUDKFT-UHFFFAOYSA-N
MW274.25 g/mol
LogP1.37
Rot. Bonds2

About 3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]piperidin-2-one

3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]piperidin-2-one (PubChem CID 106747635) has the molecular formula C11H13F3N4O and a molecular weight of 274.25 g/mol. Its IUPAC name is 3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]piperidin-2-one.

Molecular Properties

Compound Name3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]piperidin-2-one
PubChem CID106747635
Molecular FormulaC11H13F3N4O
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC Name3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]piperidin-2-one
SMILESNc1cnc(C(F)(F)F)cc1NC1CCCNC1=O
InChIInChI=1S/C11H13F3N4O/c12-11(13,14)9-4-8(6(15)5-17-9)18-7-2-1-3-16-10(7)19/h4-5,7H,1-3,15H2,(H,16,19)(H,17,18)
InChIKeyBAKGAIILTUDKFT-UHFFFAOYSA-N
XLogP1.37
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]piperidin-2-one?
The IUPAC name of 3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]piperidin-2-one (CID 106747635) is 3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]piperidin-2-one.
What is the SMILES notation for 3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]piperidin-2-one?
The canonical SMILES for 3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]piperidin-2-one is Nc1cnc(C(F)(F)F)cc1NC1CCCNC1=O.
What is the InChIKey of 3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]piperidin-2-one?
The InChIKey is BAKGAIILTUDKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O/c12-11(13,14)9-4-8(6(15)5-17-9)18-7-2-1-3-16-10(7)19/h4-5,7H,1-3,15H2,(H,16,19)(H,17,18).
What are the key properties of 3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]piperidin-2-one?
3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]piperidin-2-one has a molecular weight of 274.25 g/mol, XLogP of 1.37, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]piperidin-2-one is sourced from PubChem (CID 106747635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).