2-amino-1-[3-(4-fluoroanilino)piperidin-1-yl]ethanone

C13H18FN3O — CID 56883388

IUPAC2-amino-1-[3-(4-fluoroanilino)piperidin-1-yl]ethanone
SMILESNCC(=O)N1CCCC(Nc2ccc(F)cc2)C1
InChIInChI=1S/C13H18FN3O/c14-10-3-5-11(6-4-10)16-12-2-1-7-17(9-12)13(18)8-15/h3-6,12,16H,1-2,7-9,15H2
InChIKeyWCSYTFRIMRFRLC-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.19
Rot. Bonds3

About 2-amino-1-[3-(4-fluoroanilino)piperidin-1-yl]ethanone

2-amino-1-[3-(4-fluoroanilino)piperidin-1-yl]ethanone (PubChem CID 56883388) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-amino-1-[3-(4-fluoroanilino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[3-(4-fluoroanilino)piperidin-1-yl]ethanone
PubChem CID56883388
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name2-amino-1-[3-(4-fluoroanilino)piperidin-1-yl]ethanone
SMILESNCC(=O)N1CCCC(Nc2ccc(F)cc2)C1
InChIInChI=1S/C13H18FN3O/c14-10-3-5-11(6-4-10)16-12-2-1-7-17(9-12)13(18)8-15/h3-6,12,16H,1-2,7-9,15H2
InChIKeyWCSYTFRIMRFRLC-UHFFFAOYSA-N
XLogP1.19
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-2-methylsulfanylethanone
CID 42415603
1-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-2-phenoxyethanone
CID 42147628
1-[3-(4-fluoroanilino)piperidin-1-yl]-3-phenylpropan-1-one
CID 24791061
2-(cyclohexen-1-yl)-1-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]ethanone
CID 25452205
1-(azepan-1-yl)-2-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]ethanone
CID 95707310
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone
CID 25449307
3-[2-[3-(4-fluoroanilino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidine-2,4-dione
CID 24791370
4-(1,3-dihydroisoindol-2-yl)-1-[(3R)-3-(4-fluoroanilino)piperidin-1-yl]butan-1-one
CID 25488493
1-[3-(4-fluoroanilino)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 45251610
N-[3-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-3-oxopropyl]-N-methylmethanesulfonamide
CID 95726072
2-(2-ethylimidazol-1-yl)-1-[(3R)-3-(4-fluoroanilino)piperidin-1-yl]ethanone
CID 95714644
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 42119873

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(4-fluoroanilino)piperidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[3-(4-fluoroanilino)piperidin-1-yl]ethanone (CID 56883388) is 2-amino-1-[3-(4-fluoroanilino)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[3-(4-fluoroanilino)piperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[3-(4-fluoroanilino)piperidin-1-yl]ethanone is NCC(=O)N1CCCC(Nc2ccc(F)cc2)C1.
What is the InChIKey of 2-amino-1-[3-(4-fluoroanilino)piperidin-1-yl]ethanone?
The InChIKey is WCSYTFRIMRFRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c14-10-3-5-11(6-4-10)16-12-2-1-7-17(9-12)13(18)8-15/h3-6,12,16H,1-2,7-9,15H2.
What are the key properties of 2-amino-1-[3-(4-fluoroanilino)piperidin-1-yl]ethanone?
2-amino-1-[3-(4-fluoroanilino)piperidin-1-yl]ethanone has a molecular weight of 251.30 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(4-fluoroanilino)piperidin-1-yl]ethanone is sourced from PubChem (CID 56883388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).