(3S)-3-[(3-fluoro-2-pyridinyl)amino]piperidin-2-one

C10H12FN3O — CID 94573874

IUPAC(3S)-3-[(3-fluoro-2-pyridinyl)amino]piperidin-2-one
SMILESO=C1NCCC[C@@H]1Nc1ncccc1F
InChIInChI=1S/C10H12FN3O/c11-7-3-1-5-12-9(7)14-8-4-2-6-13-10(8)15/h1,3,5,8H,2,4,6H2,(H,12,14)(H,13,15)/t8-/m0/s1
InChIKeyIHUJJXHGSIZRFP-QMMMGPOBSA-N
MW209.22 g/mol
LogP0.91
Rot. Bonds2

About (3S)-3-[(3-fluoro-2-pyridinyl)amino]piperidin-2-one

(3S)-3-[(3-fluoro-2-pyridinyl)amino]piperidin-2-one (PubChem CID 94573874) has the molecular formula C10H12FN3O and a molecular weight of 209.22 g/mol. Its IUPAC name is (3S)-3-[(3-fluoro-2-pyridinyl)amino]piperidin-2-one.

Molecular Properties

Compound Name(3S)-3-[(3-fluoro-2-pyridinyl)amino]piperidin-2-one
PubChem CID94573874
Molecular FormulaC10H12FN3O
Molecular Weight209.22 g/mol
Exact Mass209.10
IUPAC Name(3S)-3-[(3-fluoro-2-pyridinyl)amino]piperidin-2-one
SMILESO=C1NCCC[C@@H]1Nc1ncccc1F
InChIInChI=1S/C10H12FN3O/c11-7-3-1-5-12-9(7)14-8-4-2-6-13-10(8)15/h1,3,5,8H,2,4,6H2,(H,12,14)(H,13,15)/t8-/m0/s1
InChIKeyIHUJJXHGSIZRFP-QMMMGPOBSA-N
XLogP0.91
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(3-fluoro-2-pyridinyl)amino]piperidin-2-one?
The IUPAC name of (3S)-3-[(3-fluoro-2-pyridinyl)amino]piperidin-2-one (CID 94573874) is (3S)-3-[(3-fluoro-2-pyridinyl)amino]piperidin-2-one.
What is the SMILES notation for (3S)-3-[(3-fluoro-2-pyridinyl)amino]piperidin-2-one?
The canonical SMILES for (3S)-3-[(3-fluoro-2-pyridinyl)amino]piperidin-2-one is O=C1NCCC[C@@H]1Nc1ncccc1F.
What is the InChIKey of (3S)-3-[(3-fluoro-2-pyridinyl)amino]piperidin-2-one?
The InChIKey is IHUJJXHGSIZRFP-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12FN3O/c11-7-3-1-5-12-9(7)14-8-4-2-6-13-10(8)15/h1,3,5,8H,2,4,6H2,(H,12,14)(H,13,15)/t8-/m0/s1.
What are the key properties of (3S)-3-[(3-fluoro-2-pyridinyl)amino]piperidin-2-one?
(3S)-3-[(3-fluoro-2-pyridinyl)amino]piperidin-2-one has a molecular weight of 209.22 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(3-fluoro-2-pyridinyl)amino]piperidin-2-one is sourced from PubChem (CID 94573874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).