3-amino-1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]pyridin-2-one

C12H18FN3O — CID 137457784

IUPAC3-amino-1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]pyridin-2-one
SMILESNc1cccn([C@@H]2CCCN(CCF)C2)c1=O
InChIInChI=1S/C12H18FN3O/c13-5-8-15-6-1-3-10(9-15)16-7-2-4-11(14)12(16)17/h2,4,7,10H,1,3,5-6,8-9,14H2/t10-/m1/s1
InChIKeyBMWCFAMUPVOKAU-SNVBAGLBSA-N
MW239.29 g/mol
LogP1.04
Rot. Bonds3

About 3-amino-1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]pyridin-2-one

3-amino-1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]pyridin-2-one (PubChem CID 137457784) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 3-amino-1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]pyridin-2-one
PubChem CID137457784
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name3-amino-1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]pyridin-2-one
SMILESNc1cccn([C@@H]2CCCN(CCF)C2)c1=O
InChIInChI=1S/C12H18FN3O/c13-5-8-15-6-1-3-10(9-15)16-7-2-4-11(14)12(16)17/h2,4,7,10H,1,3,5-6,8-9,14H2/t10-/m1/s1
InChIKeyBMWCFAMUPVOKAU-SNVBAGLBSA-N
XLogP1.04
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]pyridin-2-one?
The IUPAC name of 3-amino-1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]pyridin-2-one (CID 137457784) is 3-amino-1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]pyridin-2-one?
The canonical SMILES for 3-amino-1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]pyridin-2-one is Nc1cccn([C@@H]2CCCN(CCF)C2)c1=O.
What is the InChIKey of 3-amino-1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]pyridin-2-one?
The InChIKey is BMWCFAMUPVOKAU-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18FN3O/c13-5-8-15-6-1-3-10(9-15)16-7-2-4-11(14)12(16)17/h2,4,7,10H,1,3,5-6,8-9,14H2/t10-/m1/s1.
What are the key properties of 3-amino-1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]pyridin-2-one?
3-amino-1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]pyridin-2-one has a molecular weight of 239.29 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]pyridin-2-one is sourced from PubChem (CID 137457784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).