2-[(3-fluoro-2-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one

C13H18FN3O — CID 112551708

IUPAC2-[(3-fluoro-2-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one
SMILESCC(Nc1ncccc1F)C(=O)N1CCCCC1
InChIInChI=1S/C13H18FN3O/c1-10(13(18)17-8-3-2-4-9-17)16-12-11(14)6-5-7-15-12/h5-7,10H,2-4,8-9H2,1H3,(H,15,16)
InChIKeySUKUEWACSXIOGN-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.03
Rot. Bonds3

About 2-[(3-fluoro-2-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one

2-[(3-fluoro-2-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one (PubChem CID 112551708) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-[(3-fluoro-2-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[(3-fluoro-2-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one
PubChem CID112551708
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name2-[(3-fluoro-2-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one
SMILESCC(Nc1ncccc1F)C(=O)N1CCCCC1
InChIInChI=1S/C13H18FN3O/c1-10(13(18)17-8-3-2-4-9-17)16-12-11(14)6-5-7-15-12/h5-7,10H,2-4,8-9H2,1H3,(H,15,16)
InChIKeySUKUEWACSXIOGN-UHFFFAOYSA-N
XLogP2.03
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-fluoro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 112551724
1-(azepan-1-yl)-2-(2-fluoroanilino)propan-1-one
CID 43086908
1-piperidin-1-yl-2-(pyridin-2-ylamino)propan-1-one
CID 112551717
2-(furo[3,2-c]pyridin-4-ylamino)-1-piperidin-1-ylpropan-1-one
CID 103911659
3-fluoro-N-propan-2-ylpyridin-2-amine
CID 62733783
2-[(3-methyl-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 113408683
1-piperidin-1-yl-2-(quinazolin-4-ylamino)propan-1-one
CID 110436995
2-[(2-methylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 112695203
2-[(3-fluoro-2-pyridinyl)amino]-N-propylpropanamide
CID 62733234
2-fluoro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 61041045
2-[(3-aminoquinoxalin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 102987185
1-pyrrolidin-1-yl-2-(2,4,5-trifluoroanilino)propan-1-one
CID 62815898

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-2-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[(3-fluoro-2-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one (CID 112551708) is 2-[(3-fluoro-2-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[(3-fluoro-2-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[(3-fluoro-2-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one is CC(Nc1ncccc1F)C(=O)N1CCCCC1.
What is the InChIKey of 2-[(3-fluoro-2-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is SUKUEWACSXIOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-10(13(18)17-8-3-2-4-9-17)16-12-11(14)6-5-7-15-12/h5-7,10H,2-4,8-9H2,1H3,(H,15,16).
What are the key properties of 2-[(3-fluoro-2-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one?
2-[(3-fluoro-2-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 251.30 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-2-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 112551708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).