1-[3-(4-fluoroanilino)piperidin-1-yl]-2-pyridin-3-ylethanone

C18H20FN3O — CID 45251610

IUPAC1-[3-(4-fluoroanilino)piperidin-1-yl]-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CCCC(Nc2ccc(F)cc2)C1
InChIInChI=1S/C18H20FN3O/c19-15-5-7-16(8-6-15)21-17-4-2-10-22(13-17)18(23)11-14-3-1-9-20-12-14/h1,3,5-9,12,17,21H,2,4,10-11,13H2
InChIKeyAAYCDIDJSIHHQF-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.87
Rot. Bonds4

About 1-[3-(4-fluoroanilino)piperidin-1-yl]-2-pyridin-3-ylethanone

1-[3-(4-fluoroanilino)piperidin-1-yl]-2-pyridin-3-ylethanone (PubChem CID 45251610) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-[3-(4-fluoroanilino)piperidin-1-yl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[3-(4-fluoroanilino)piperidin-1-yl]-2-pyridin-3-ylethanone
PubChem CID45251610
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name1-[3-(4-fluoroanilino)piperidin-1-yl]-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CCCC(Nc2ccc(F)cc2)C1
InChIInChI=1S/C18H20FN3O/c19-15-5-7-16(8-6-15)21-17-4-2-10-22(13-17)18(23)11-14-3-1-9-20-12-14/h1,3,5-9,12,17,21H,2,4,10-11,13H2
InChIKeyAAYCDIDJSIHHQF-UHFFFAOYSA-N
XLogP2.87
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-2-pyridin-3-ylethanone
CID 129343074
1-[3-(4-fluoroanilino)piperidin-1-yl]-3-phenylpropan-1-one
CID 24791061
2-amino-1-[3-(4-fluoroanilino)piperidin-1-yl]ethanone
CID 56883388
1-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-2-methylsulfanylethanone
CID 42415603
1-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-2-phenoxyethanone
CID 42147628
2-(cyclohexen-1-yl)-1-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]ethanone
CID 25452205
1-[3-(methylaminomethyl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 62691421
N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide
CID 53185419
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone
CID 25449307
2-(2-ethylimidazol-1-yl)-1-[(3R)-3-(4-fluoroanilino)piperidin-1-yl]ethanone
CID 95714644
3-[1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide
CID 45225552
4-(1,3-dihydroisoindol-2-yl)-1-[(3R)-3-(4-fluoroanilino)piperidin-1-yl]butan-1-one
CID 25488493

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluoroanilino)piperidin-1-yl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[3-(4-fluoroanilino)piperidin-1-yl]-2-pyridin-3-ylethanone (CID 45251610) is 1-[3-(4-fluoroanilino)piperidin-1-yl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[3-(4-fluoroanilino)piperidin-1-yl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[3-(4-fluoroanilino)piperidin-1-yl]-2-pyridin-3-ylethanone is O=C(Cc1cccnc1)N1CCCC(Nc2ccc(F)cc2)C1.
What is the InChIKey of 1-[3-(4-fluoroanilino)piperidin-1-yl]-2-pyridin-3-ylethanone?
The InChIKey is AAYCDIDJSIHHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c19-15-5-7-16(8-6-15)21-17-4-2-10-22(13-17)18(23)11-14-3-1-9-20-12-14/h1,3,5-9,12,17,21H,2,4,10-11,13H2.
What are the key properties of 1-[3-(4-fluoroanilino)piperidin-1-yl]-2-pyridin-3-ylethanone?
1-[3-(4-fluoroanilino)piperidin-1-yl]-2-pyridin-3-ylethanone has a molecular weight of 313.38 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluoroanilino)piperidin-1-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 45251610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).