[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone

C11H14FN3O — CID 102978428

IUPAC[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
SMILESN[C@@H]1CCCN(C(=O)c2cncc(F)c2)C1
InChIInChI=1S/C11H14FN3O/c12-9-4-8(5-14-6-9)11(16)15-3-1-2-10(13)7-15/h4-6,10H,1-3,7,13H2/t10-/m1/s1
InChIKeyGFKVGQLWUUFLCU-SNVBAGLBSA-N
MW223.25 g/mol
LogP0.78
Rot. Bonds1

About [(3R)-3-aminopiperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone

[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone (PubChem CID 102978428) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is [(3R)-3-aminopiperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
PubChem CID102978428
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
SMILESN[C@@H]1CCCN(C(=O)c2cncc(F)c2)C1
InChIInChI=1S/C11H14FN3O/c12-9-4-8(5-14-6-9)11(16)15-3-1-2-10(13)7-15/h4-6,10H,1-3,7,13H2/t10-/m1/s1
InChIKeyGFKVGQLWUUFLCU-SNVBAGLBSA-N
XLogP0.78
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone;dihydrochloride
CID 120727478
(5-fluoro-3-pyridinyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 113265528
[4-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 115736655
(5-fluoro-3-pyridinyl)-[(3R)-3-(phenylsulfanylmethyl)pyrrolidin-1-yl]methanone
CID 124574317
(4-cyclopentylpiperazin-1-yl)-(5-fluoro-3-pyridinyl)methanone
CID 121184691
[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 102983529
(5-fluoro-3-pyridinyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 103860842
[(3S)-3-aminopyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 102922341
(3-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone
CID 61297571
(5-fluoro-3-pyridinyl)-[(3R)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone
CID 126430234
[(3R)-3-aminopiperidin-1-yl]-(2,6-difluorophenyl)methanone
CID 102978457
[2-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 115736898

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopiperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone?
The IUPAC name of [(3R)-3-aminopiperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone (CID 102978428) is [(3R)-3-aminopiperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone.
What is the SMILES notation for [(3R)-3-aminopiperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone?
The canonical SMILES for [(3R)-3-aminopiperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone is N[C@@H]1CCCN(C(=O)c2cncc(F)c2)C1.
What is the InChIKey of [(3R)-3-aminopiperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone?
The InChIKey is GFKVGQLWUUFLCU-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14FN3O/c12-9-4-8(5-14-6-9)11(16)15-3-1-2-10(13)7-15/h4-6,10H,1-3,7,13H2/t10-/m1/s1.
What are the key properties of [(3R)-3-aminopiperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone?
[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone has a molecular weight of 223.25 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopiperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone is sourced from PubChem (CID 102978428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).